elements
listlengths
1
9
nsites
int32
1
444
chemical_formula_anonymous
stringlengths
1
18
chemical_formula_reduced
stringlengths
1
23
chemical_formula_descriptive
stringlengths
2
34
nelements
int8
1
9
dimension_types
listlengths
3
3
nperiodic_dimensions
int8
3
3
lattice_vectors
listlengths
3
3
immutable_id
stringlengths
4
13
cartesian_site_positions
listlengths
1
444
species
stringlengths
138
1.25k
species_at_sites
listlengths
1
444
last_modified
stringlengths
19
19
elements_ratios
listlengths
1
9
stress_tensor
listlengths
0
3
energy
float64
-2,749.01
5.19k
magnetic_moments
listlengths
0
444
forces
listlengths
0
444
total_magnetization
float64
-340.3
383
dos_ef
float64
-14.23
392
functional
stringclasses
1 value
cross_compatibility
bool
1 class
entalpic_fingerprint
stringlengths
37
62
[ "Li", "Ni", "O", "P" ]
48
A7B2C2D
Li2NiO7P2
Li8 Ni4 O28 P8
4
[ 1, 1, 1 ]
3
[ [ 3.94139897, 6.45113065, -0.04772919 ], [ -3.94139897, 6.45113065, 0.04772919 ], [ -0.32750895, 0, 10.95475571 ] ]
mp-765564
[ [ -0.38219898792255175, 3.7170637444056673, 10.936148542841929 ], [ -0.21844451292255154, 9.185197555594332, 5.458770687841928 ], [ -0.24563171250000007, 3.6676312461756706, 8.2160667825 ], [ -0.24563171250000018, 9.117765628715158, 8.2160667825 ], [ -0.08187723750000006, 3.784495671284842, 2.7386889275 ], [ -0.08187723750000019, 9.234630053824327, 2.7386889275 ], [ -0.10906443707744824, 3.7170637444056673, 5.495985022158072 ], [ 0.05469003792255128, 9.185197555594332, 0.018607167158072507 ], [ -1.8392995943359618, 6.444013182065161, 9.736540510648688 ], [ -1.6755451193359618, 6.458248117934838, 4.259162655648687 ], [ 1.3480361693359615, 6.444013182065161, 6.695593054351314 ], [ 1.5117906443359619, 6.458248117934838, 1.2182151993513135 ], [ -2.6414558235431294, 7.8185790717762265, 6.956160617296638 ], [ -2.47770134854313, 5.083682228223772, 1.4787827622966374 ], [ -2.537289856183043, 4.982807769077611, 6.973000305654067 ], [ -2.3735353811830433, 7.919453530922389, 1.495622450654066 ], [ 2.046026431183043, 4.982807769077611, 9.459133259345935 ], [ 2.2097809061830436, 7.919453530922389, 3.9817554043459342 ], [ 2.1501923985431293, 7.8185790717762265, 9.475972947703363 ], [ 2.3139468735431294, 5.083682228223772, 3.998595092703363 ], [ -3.417990575942452, 6.372274480364047, 6.912368794298963 ], [ -3.254236100942452, 6.529986819635953, 1.4349909392989633 ], [ -1.702133280659414, 7.855911764847777, 5.720505807699977 ], [ -1.538378805659414, 5.046349535152222, 0.24312795269997692 ], [ -1.752442798110375, 5.014249160616967, 8.305968783624067 ], [ -1.5886883231103748, 7.888012139383031, 2.8285909286240667 ], [ -1.802443934715569, 7.813071741540322, 8.255268190546746 ], [ -1.638689459715569, 5.089189558459677, 2.777890335546746 ], [ -1.5548652727222612, 5.076643915662009, 5.772660221157192 ], [ -1.3911107977222612, 7.82561738433799, 0.29528236615719144 ], [ -0.9153526881700703, 10.30019813939034, 9.577707433276633 ], [ -0.7515982131700705, 2.602063160609661, 4.100329578276631 ], [ -0.7191406008591862, 2.4184458546335343, 9.57572197689261 ], [ -0.5553861258591866, 10.483815445366465, 4.098344121892609 ], [ 0.22787717585918618, 2.4184458546335343, 6.856411588107392 ], [ 0.3916316508591862, 10.483815445366465, 1.3790337331073919 ], [ 0.42408926317007073, 10.300198139390337, 6.854426131723369 ], [ 0.5878437381700705, 2.602063160609661, 1.3770482767233685 ], [ 1.0636018477222609, 5.076643915662009, 10.659473343842809 ], [ 1.227356322722261, 7.82561738433799, 5.182095488842809 ], [ 1.3111805097155689, 7.813071741540322, 8.176865374453255 ], [ 1.4749349847155688, 5.089189558459677, 2.6994875194532546 ], [ 1.2611793731103749, 5.014249160616967, 8.126164781375934 ], [ 1.4249338481103748, 7.888012139383031, 2.6487869263759336 ], [ 1.210869855659414, 7.855911764847777, 10.711627757300024 ], [ 1.3746243306594144, 5.046349535152222, 5.234249902300023 ], [ 2.9267271509424524, 6.372274480364046, 9.519764770701038 ], [ 3.090481625942452, 6.529986819635953, 4.042386915701036 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Ni", "Ni", "Ni", "Ni", "P", "P", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2014-02-16 04:28:22
[ 0.16666666666666666, 0.08333333333333333, 0.5833333333333334, 0.16666666666666666 ]
[]
-307.096778
[ 0, 0, 0, 0, 0, 0, 0, 0, 1.81, 1.81, 1.81, 1.81, 0.003, 0.003, 0.003, 0.003, 0.003, 0.003, 0.003, 0.003, 0.003, 0.003, 0.027, 0.027, 0.026, 0.026, 0.024, 0.024, 0.027, 0.027, 0.004, 0.003, 0.004, 0.004, 0.004, 0.004, 0.003, 0.004, 0.027, 0.027, 0.024, 0.024, 0.026, 0.026, 0.027, 0.027, 0.003, 0.003 ]
[]
7.722
1.484498
pbe
true
2c98ec543d97eb1ab1162a0e2d5076c2_15_Li8Ni4P8O28
[ "Li", "Ni", "O", "P" ]
52
A8B2C2D
LiNi2O8P2
Li4 Ni8 O32 P8
4
[ 1, 1, 1 ]
3
[ [ 10.01811004, 0, 0 ], [ 0, 14.02993068, 0 ], [ 0, 0, 4.97831258 ] ]
mp-766097
[ [ 2.2642405359819895, 10.534175909654024, 2.7375370988795305 ], [ 2.7448144840180104, 3.5192105696540255, 2.7375370988795305 ], [ 7.273295555981989, 10.534175909654024, 2.2407754811204694 ], [ 7.75386950401801, 3.5192105696540255, 2.2407754811204694 ], [ 0.3576918102853808, 10.550546453669371, 0.288518354489529 ], [ 2.314365247937226, 0.009594368095517999, 2.7021330822199734 ], [ 2.694689772062774, 7.024559708095518, 2.7021330822199734 ], [ 4.651363209714619, 3.53558111366937, 0.288518354489529 ], [ 5.366746830285381, 10.550546453669371, 4.689794225510471 ], [ 7.323420267937226, 0.009594368095517999, 2.2761794977800265 ], [ 7.703744792062774, 7.024559708095518, 2.2761794977800265 ], [ 9.660418229714619, 3.53558111366937, 4.689794225510471 ], [ 0.2507529937578988, 5.274484674580815, 2.181400939171338 ], [ 2.145163977692244, 1.8023622000708468, 0.2677155792777346 ], [ 2.8638910423077557, 8.817327540070846, 0.2677155792777346 ], [ 4.758302026242101, 12.289450014580815, 2.181400939171338 ], [ 5.259808013757898, 5.274484674580815, 2.796911640828662 ], [ 7.154218997692245, 1.8023622000708468, 4.710597000722265 ], [ 7.872946062307755, 8.817327540070846, 4.710597000722265 ], [ 9.767357046242102, 12.289450014580815, 2.796911640828662 ], [ 9.976182446222792, 12.072709472266677, 4.330935251469964 ], [ 0.410781081363654, 13.602916972517281, 2.412473150872725 ], [ 0.440870975774296, 11.051048797754621, 2.107926870116257 ], [ 0.6320621979192784, 2.030821803182683, 4.9257090409909265 ], [ 1.757273676683388, 5.254608612085766, 2.521254209275179 ], [ 2.101528696877619, 10.066368495127525, 4.667668662863044 ], [ 2.461800771584902, 7.507108651386107, 4.590177344471533 ], [ 2.3963605733627142, 1.7891547039273086, 1.7926665139407418 ], [ 2.6126944466372852, 8.804120043927307, 1.7926665139407418 ], [ 2.547254248415098, 0.492143311386108, 4.590177344471533 ], [ 2.907526323122381, 3.051403155127525, 4.667668662863044 ], [ 3.251781343316612, 12.269573952085766, 2.521254209275179 ], [ 4.376992822080721, 9.045787143182682, 4.9257090409909265 ], [ 4.5681840442257045, 4.036083457754621, 2.107926870116257 ], [ 4.598273938636346, 6.587951632517281, 2.412473150872725 ], [ 5.050982613777207, 5.057744132266676, 4.330935251469964 ], [ 4.967127426222793, 12.072709472266677, 0.6473773285300358 ], [ 5.419836101363654, 13.602916972517281, 2.5658394291272755 ], [ 5.449925995774296, 11.051048797754621, 2.870385709883743 ], [ 5.641117217919278, 2.030821803182683, 0.0526035390090732 ], [ 6.766328696683388, 5.254608612085766, 2.457058370724821 ], [ 7.110583716877618, 10.066368495127525, 0.3106439171369552 ], [ 7.470855791584901, 7.507108651386107, 0.3881352355284676 ], [ 7.405415593362714, 1.7891547039273086, 3.1856460660592583 ], [ 7.621749466637286, 8.804120043927307, 3.1856460660592583 ], [ 7.556309268415099, 0.492143311386108, 0.3881352355284676 ], [ 7.916581343122382, 3.051403155127525, 0.3106439171369552 ], [ 8.260836363316612, 12.269573952085766, 2.457058370724821 ], [ 9.386047842080721, 9.045787143182682, 0.0526035390090732 ], [ 9.577239064225704, 4.036083457754621, 2.870385709883743 ], [ 9.607328958636346, 6.587951632517281, 2.5658394291272755 ], [ 0.0419275937772072, 5.057744132266676, 0.6473773285300358 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "Li", "Li", "Li", "Li", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "P", "P", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2014-02-16 11:57:41
[ 0.07692307692307693, 0.15384615384615385, 0.6153846153846154, 0.15384615384615385 ]
[]
-322.227206
[ 0.001, 0.001, 0.001, 0.001, 2.056, 1.814, 1.814, 2.056, 2.056, 1.814, 1.814, 2.056, 0.003, 0.002, 0.002, 0.003, 0.003, 0.002, 0.002, 0.003, 0.204, 0.09, 0.11, 0.217, 0.031, 0.111, 0.095, 0.033, 0.034, 0.096, 0.111, 0.031, 0.216, 0.11, 0.091, 0.204, 0.204, 0.09, 0.11, 0.216, 0.031, 0.111, 0.095, 0.034, 0.033, 0.095, 0.111, 0.031, 0.217, 0.11, 0.09, 0.204 ]
[]
19.07
0.661261
pbe
true
4ccff1ce376ab3f4a8f203d90d804830_29_Li4Ni8P8O32
[ "Li", "Ni", "O", "P" ]
56
A4BCD
LiNiO4P
Li8 Ni8 O32 P8
4
[ 1, 1, 1 ]
3
[ [ 7.54523716, 0, 0.18592764 ], [ 0, 4.85470608, 0 ], [ -0.10352337, 0, 18.00657369 ] ]
mp-850709
[ [ 0.0461503929576513, 3.7202732186262044, 10.5915591348012 ], [ 0.09791207795765129, 3.561785901373795, 1.5882722898011992 ], [ 3.7363249218642562, 1.738103231468352, 14.84625036335311 ], [ 3.788086606864256, 0.689249808531648, 5.842963518353112 ], [ 3.6536271831357445, 4.165456271468352, 12.349537811646888 ], [ 3.7053888681357443, 3.116602848531648, 3.3462509666468883 ], [ 7.343801712042349, 1.2929201786262048, 16.6042290401988 ], [ 7.395563397042348, 1.134432861373795, 7.600942195198801 ], [ 1.1621716201581265, 3.7668495600400895, 13.920997353006186 ], [ 1.2139333051581265, 3.51520955995991, 4.917710508006185 ], [ 2.5839933465934273, 1.104614771159827, 9.338646997921485 ], [ 2.6357550315934275, 1.3227382688401725, 0.33536015292148436 ], [ 4.805958758406572, 3.531967811159827, 17.857141177078514 ], [ 4.8577204434065715, 3.7500913088401724, 8.853854332078516 ], [ 6.227780484841873, 1.3394965200400897, 13.274790821993815 ], [ 6.279542169841873, 1.0878565199599104, 4.271503976993815 ], [ 1.7492835988520725, 1.704964716483907, 12.299114853923692 ], [ 1.8010452838520725, 0.7223883235160927, 3.295828008923693 ], [ 1.7846170891374786, 3.431640358216425, 16.87601208760072 ], [ 1.8363787741374786, 3.8504187617835743, 7.872725242600719 ], [ 5.605335015862521, 1.0042873182164256, 10.31977608739928 ], [ 5.657096700862521, 1.4230657217835743, 1.3164892423992804 ], [ 5.640668506147928, 4.132317756483907, 14.896673321076307 ], [ 5.692430191147928, 3.1497413635160925, 5.893386476076307 ], [ 0.3753416017102081, 2.3134350315738814, 12.793553347702098 ], [ 0.4271032867102081, 0.11391800842611839, 3.7902665027020985 ], [ 1.3485962395200715, 2.853247957209821, 0.2007155132614854 ], [ 0.9661969654107999, 2.862603655484832, 15.685561458529959 ], [ 1.8455320229940104, 2.1184472182825056, 10.819785667398884 ], [ 1.8480979951939753, 0.18327345606739678, 12.515617612597891 ], [ 1.2968345545200715, 4.428811162790179, 9.204002358261485 ], [ 1.0179586504108, 4.419455464515168, 6.682274613529958 ], [ 1.8972937079940104, 0.30890582171749437, 1.8164988223988836 ], [ 1.8998596801939753, 2.244079583932603, 3.5123307675978914 ], [ 1.776825917106189, 0.12263934225765598, 16.8558881407752 ], [ 1.828587602106189, 2.304713697742344, 7.852601295775199 ], [ 2.7992044920258436, 2.4653001413566846, 13.185068650940089 ], [ 2.8509661770258434, 4.816758978643315, 4.181781805940088 ], [ 3.2468000044396836, 2.808780160287662, 16.750331118724365 ], [ 3.298561689439684, 4.473278959712338, 7.747044273724365 ], [ 4.143152100560317, 0.38142712028766235, 10.445457056275634 ], [ 4.194913785560317, 2.0459259197123374, 1.4421702112756347 ], [ 4.590747612974156, 0.0379471013566848, 14.010719524059912 ], [ 4.642509297974157, 2.389405938643315, 5.007432679059912 ], [ 5.613126187893811, 2.549992382257656, 10.3399000342248 ], [ 5.664887872893812, 4.732066737742344, 1.3366131892248008 ], [ 5.5418541098060246, 2.610626496067397, 14.680170562402107 ], [ 5.54442008200599, 4.5458002582825054, 16.376002507601115 ], [ 6.4237551395892005, 0.43525061548483196, 11.51022671647004 ], [ 6.144879235479928, 0.4258949172098208, 8.988498971738514 ], [ 5.593615794806024, 4.671432623932603, 5.6768837174021085 ], [ 5.59618176700599, 2.736258861717494, 7.3727156626011165 ], [ 6.4755168245892, 1.992102424515168, 2.506939871470042 ], [ 6.093117550479928, 2.001458122790179, 17.991785816738513 ], [ 7.014610503289792, 4.740788071573881, 14.402234827297903 ], [ 7.066372188289792, 2.5412710484261183, 5.398947982297901 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "P", "P", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2014-07-05 23:38:30
[ 0.14285714285714285, 0.14285714285714285, 0.5714285714285714, 0.14285714285714285 ]
[]
-347.540914
[ 0.001, 0.001, 0, 0, 0, 0, 0.001, 0.001, 1.781, 1.781, 1.778, 1.778, 1.778, 1.778, 1.781, 1.781, 0.006, 0.006, 0.006, 0.006, 0.006, 0.006, 0.006, 0.006, 0.076, 0.076, 0.046, 0.026, 0.039, 0.02, 0.046, 0.026, 0.039, 0.02, 0.025, 0.025, 0.035, 0.035, 0.045, 0.045, 0.045, 0.045, 0.035, 0.035, 0.025, 0.025, 0.02, 0.039, 0.026, 0.046, 0.02, 0.039, 0.026, 0.046, 0.076, 0.076 ]
[]
15.536
1.557787
pbe
true
78b7b2d62b4ae8c956acc02752739ba5_14_Li8Ni8P8O32
[ "Mg", "Re", "Tl" ]
4
A2BC
MgReTl2
Mg1 Tl2 Re1
3
[ 1, 1, 1 ]
3
[ [ 4.99040796, 0, 0 ], [ 2.49520398, 4.32182007, 0 ], [ 2.49520398, 1.44060669, 4.07465103 ] ]
agm004103731
[ [ 4.99040796, 2.88121338, 2.037325515 ], [ 7.485611939999999, 4.32182007, 3.0559882725 ], [ 0, 0, 0 ], [ 2.49520398, 1.44060669, 1.0186627575 ] ]
[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}]
[ "Mg", "Re", "Tl", "Tl" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
[ [ 5.882206, 0, 0 ], [ 0, 5.882206, 0 ], [ 0, 0, 5.882206 ] ]
-14.800903
[ -0.008, 1.566, -0.002, 0.014 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
1.85016
3.610358
pbe
true
19e9a01966e61b9d2a485a763cd711c2_216_Mg1Tl2Re1
[ "Li", "Ni", "O", "P" ]
66
A21B7C3D2
Li3Ni2O21P7
Li6 Ni4 O42 P14
4
[ 1, 1, 1 ]
3
[ [ 6.85808867, 0.3401831, -0.09139917 ], [ -2.87251628, 6.31248172, -0.01984749 ], [ -2.96397835, 0.0540398, 18.26994682 ] ]
mp-859106
[ [ -2.6164380747692757, 5.1251889291762955, 13.768884051517084 ], [ 0.60700717075986, 1.845572851654384, 10.019933753833024 ], [ 0.4225098745605686, 5.91933461087656, 15.911462681812305 ], [ 0.5990841654394311, 0.7873700091234404, 2.2472374781876963 ], [ 0.4145868692401398, 4.861131768345616, 8.138766406166976 ], [ 3.6380321147692767, 1.581515690823704, 4.389816108482916 ], [ 0.0420250813006957, 5.467169818934554, 11.208138282134078 ], [ -0.6572307705754035, 0.916665375658001, 15.916316616418348 ], [ 1.6788248105754024, 5.790039244341999, 2.2423835435816546 ], [ 0.9795689586993036, 1.239534801065446, 6.950561877865925 ], [ -2.8739425292580068, 4.747463533839248, 17.764552023181917 ], [ -2.3140097567506603, 5.0046523380672685, 9.053051633303633 ], [ 4.632647309430844, 4.600662341078006, 1.2237076467858377 ], [ -1.7691554705405017, 2.6936067122584553, 7.264128679034934 ], [ -2.0857695991173144, 0.7423426866018243, 13.099276834006945 ], [ -0.8502467147981699, 5.431892317964141, 4.8277356359170716 ], [ -0.3861456606126884, 3.073518546061394, 13.617782664689257 ], [ 1.4077397006126886, 3.633186073938606, 4.540917495310746 ], [ 1.8718407547981688, 1.274812302035859, 13.33096452408293 ], [ 3.1073636391173136, 5.964361933398176, 5.059423325993055 ], [ 2.790749510540501, 4.013097907741545, 10.894571480965068 ], [ -3.6110532694308435, 2.1060422789219944, 16.934992513214162 ], [ 3.33560379675066, 1.702052281932731, 9.105648526696369 ], [ 3.895536569258006, 1.959241086160752, 0.39414813681808575 ], [ -1.4339498217711066, 4.858903949517541, 0.009481399768248406 ], [ 3.1468590136078545, 4.968443462842932, 9.630575574825857 ], [ -2.8545670889922503, 5.352678833113688, 16.383703258715713 ], [ -3.3803274115613653, 4.105439922664348, 12.217281322024817 ], [ -2.6227025312044585, 3.159172306334766, 17.664917738784265 ], [ -2.7114891029408987, 0.9343816933936112, 16.537835574412675 ], [ -2.386861993069478, 4.148561705452182, 7.690842631009367 ], [ 0.5139124555415168, 0.1680618384029938, 8.78462427956131 ], [ -2.379899618288987, 4.949764618248193, 4.638708145435371 ], [ 1.0975682951836745, 5.1712511755282025, 0.4844306672298267 ], [ -4.278362420089906, 6.341627832105408, 14.229857089553166 ], [ -1.1892005017546825, 2.0104631654319873, 12.654127335130669 ], [ -1.1474283531447422, 4.4696587930591445, 9.852455425923093 ], [ -1.297350726700774, 3.5967251051857008, 2.250385311936308 ], [ -0.2592665059018637, 2.851574229365528, 7.40016786428718 ], [ -0.7666420302151257, 2.814520562070441, 15.044367641006712 ], [ -0.6271292525940332, 6.028563377739022, 6.216381735623571 ], [ -0.43751651816653686, 6.252771024916013, 3.632751675309325 ], [ -0.6152274535532871, 0.1431838348352242, 6.373840342267517 ], [ -0.58681084112981, 4.463204398737974, 13.075719901494459 ], [ -0.12782902883395444, 4.0036488377117365, 4.837489880468954 ], [ 1.1494230688339537, 2.703055782288264, 13.321210279531046 ], [ 1.6084048811298095, 2.2435002212620265, 5.082980258505543 ], [ 1.6368214935532872, 6.563520785164776, 11.784859817732485 ], [ 1.4591105581665367, 0.4539335950839864, 14.525948484690677 ], [ 1.6487232925940332, 0.6781412422609778, 11.94231842437643 ], [ 1.7882360702151257, 3.892184057929559, 3.1143325189932884 ], [ 1.280860545901864, 3.855130390634472, 10.75853229571282 ], [ 2.318944766700773, 3.1099795148142992, 15.908314848063693 ], [ 2.169022393144741, 2.2370458269408555, 8.306244734076907 ], [ 2.210794541754682, 4.696241454568012, 5.504572824869333 ], [ 5.2999564600899065, 0.36507678789459286, 3.928843070446835 ], [ -0.0759742551836746, 1.5354534444717978, 17.674269492770176 ], [ 3.4014936582889868, 1.7569400017518073, 13.51999201456463 ], [ 0.507681584458483, 6.538642781597006, 9.374075880438692 ], [ 3.408456033069477, 2.558142914547818, 10.467857528990635 ], [ 3.7330831429408984, 5.772322926606389, 1.6208645855873258 ], [ 3.6442965712044586, 3.547532313665234, 0.4937824212157374 ], [ 4.401921451561364, 2.601264697335652, 5.941418837975184 ], [ 3.876161128992251, 1.3540257868863117, 1.7749969012842868 ], [ -2.125264973607855, 1.7382611571570676, 8.528124585174146 ], [ 2.4555438617711074, 1.8478006704824583, 18.149218760231754 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "Li", "Li", "Li", "Li", "Li", "Li", "Ni", "Ni", "Ni", "Ni", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2014-10-24 19:41:56
[ 0.09090909090909091, 0.06060606060606061, 0.6363636363636364, 0.21212121212121213 ]
[]
-439.011123
[ 0, 0, 0, 0, 0, 0, 1.818, 1.816, 1.816, 1.818, 0.006, 0.004, 0.002, 0.001, 0.004, 0.003, 0.004, 0.004, 0.003, 0.004, 0.001, 0.002, 0.004, 0.006, 0.002, 0.001, 0.028, 0, 0.003, 0.023, 0.005, 0.02, 0, 0.019, 0.022, 0.001, 0.02, 0.002, 0.024, 0.02, 0.021, 0.01, 0.024, 0.021, 0.002, 0.002, 0.021, 0.024, 0.01, 0.021, 0.02, 0.024, 0.002, 0.02, 0.001, 0.022, 0.019, 0, 0.02, 0.005, 0.023, 0.003, 0, 0.028, 0.001, 0.002 ]
[]
7.852
1.281192
pbe
true
3c2e16eadca93d8c3523d35b010348e9_2_Li6Ni4P14O42
[ "Cu", "La" ]
6
A2B
Cu2La
La2 Cu4
2
[ 1, 1, 1 ]
3
[ [ 4.0264513, 0, 0 ], [ -2.01322512, 8.08541184, 0.00018913 ], [ 0, 1.00247402, 3.89966099 ] ]
agm003200964
[ [ 4.2462170056793593e-7, 7.366798116517192, 2.2636030615746754 ], [ 3.7037829926341135e-7, 5.5131751584828095, 0.6614263759253247 ], [ 2.013225755378299, 1.7210877434828098, 1.6362470584253246 ], [ 1.5962170073517584e-7, 3.073473691517191, 1.2885932490746754 ], [ 0, 0, 0 ], [ 2.0132259149999996, 4.794561435, 2.9248403075000002 ] ]
[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}]
[ "Cu", "Cu", "Cu", "Cu", "La", "La" ]
2023-11-16 06:57:59
[ 0.6666666666666666, 0.3333333333333333 ]
[ [ -5.1423106, -3.4e-7, 9e-8 ], [ -3.4e-7, -5.1913633, 0.01261025 ], [ 9e-8, 0.01261025, -5.145552 ] ]
-27.49054
[ 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0.00930034, -0.00239081 ], [ 0, -0.00930034, 0.00239081 ], [ 0, -0.00930034, 0.00239081 ], [ 0, 0.00930034, -0.00239081 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0
3.518685
pbe
true
c5d7cb013fdf22e7fcba394a1a56de49_141_La2Cu4
[ "Li", "Ni", "O", "P" ]
76
A12B4C2D
Li2NiO12P4
Li8 Ni4 O48 P16
4
[ 1, 1, 1 ]
3
[ [ 0.00000736, -0.00027001, 9.37950738 ], [ 10.37052048, -2.5375851, 4.68983933 ], [ 7.83758406, 7.80266643, -0.00020932 ] ]
mp-761495
[ [ 10.370417328282393, -2.537557454115253, 7.950577184702283 ], [ 14.28917364469205, 1.363416328692756, 12.640215903517806 ], [ 7.144588217890417, 0.6820631138679876, 3.260329994426914 ], [ 11.063236860021739, 4.583210601753603, 7.950012322908086 ], [ 18.208001600516525, 5.264902972087074, 10.757395834044754 ], [ 3.918708468445819, 3.9011802105921736, 1.3779718674855912 ], [ 7.144544200471723, 0.6815724137559895, 6.068037563942256 ], [ 11.063782864667658, 4.583165172384143, 10.757726118044806 ], [ 14.634268868205412, 4.921911471352292, 11.156816835687698 ], [ 3.5729885674925543, 0.3412805520966006, 6.466808117394509 ], [ 10.715910882701658, 1.0209285407960507, 6.468665238565642 ], [ 7.492163472494809, 4.243619898232302, 1.7772888594498424 ], [ 8.479786460968574, -0.6023403281418271, 9.848907397431619 ], [ 12.398778270102444, 3.299718099052821, 5.159018078694446 ], [ 5.254554327091274, 2.6184425427346634, 5.158306005001246 ], [ 9.1736089685118, 6.520063809714388, 9.847770294028551 ], [ 5.8091471071582745, 1.9649610589408977, 9.848844048964045 ], [ 9.728166628631136, 5.866733638218033, 5.158805557258618 ], [ 12.953466732723975, 2.6463045347796994, 9.847567337026826 ], [ 9.034656105121531, -1.254697466236865, 5.157966746630462 ], [ 11.7429778864838, -1.042108951499119, 13.638285777992136 ], [ 15.661707079031162, 2.8590328547631803, 8.948262920554853 ], [ 8.516965177450022, 2.176106044493513, 8.94882805333193 ], [ 12.435874110225487, 6.077658684520716, 4.258917128977058 ], [ 2.5469400326261185, 2.4056286199077053, 4.258595539148452 ], [ 6.46560448733763, 6.306970240306985, 8.94835547760152 ], [ 9.690980004318305, 3.088562206410736, 4.258621970755784 ], [ 5.772150233382302, -0.8130632706412169, 8.94873516634826 ], [ 9.740016532812007, -1.279342483237477, 9.420976777709287 ], [ 13.65882101296878, 2.622211125816189, 4.730920658410928 ], [ 6.514366168556535, 1.9403837452029344, 4.730939967048499 ], [ 10.43329762244808, 5.841649055969953, 9.420576473699 ], [ 4.549441091437421, 2.642991798036636, 9.42051791165495 ], [ 8.468251186850848, 6.544440885562421, 4.730971196356363 ], [ 11.693758564484426, 3.3246015326607266, 9.420029680495514 ], [ 7.774882118682547, -0.5766531312619332, 4.730404100745742 ], [ 1.608213192894015, 0.3010892524908958, 0.6471854755303615 ], [ 5.52698424972547, 4.20208285283657, 5.3368890999982375 ], [ 8.752295629114062, 0.9818444715022652, 10.027449863918832 ], [ 12.671140478625777, 4.883443411592376, 5.337501044961709 ], [ 5.536557212745572, 0.3814043088667203, 10.027319475274966 ], [ 9.455388583807848, 4.282935294771227, 5.337435001635898 ], [ 12.68136248647475, 1.062902763882657, 10.026579830221026 ], [ 16.600331178919145, 4.964280300436329, 5.336611977274304 ], [ 11.746997444152232, 2.868746414223935, 6.45776165848422 ], [ 7.828017948345996, -1.0335728092085836, 11.147632178678398 ], [ 8.521785420007962, 6.09075970666271, 1.7678113098965713 ], [ 4.602870248349409, 2.1893451547737626, 6.458052764189688 ], [ 9.685942112785328, -0.8246846790694633, 6.4575910715173634 ], [ 13.604570194349973, 3.0756739686132994, 11.147591856485384 ], [ 6.461256905597449, 2.3962700464233633, 1.768007961203578 ], [ 10.37989663289008, 6.297479389940459, 6.457993058426731 ], [ 11.974763558999499, 0.26405370180548315, 4.949946496153841 ], [ 15.89400581957491, 4.16469454365374, 9.639521444366547 ], [ 8.750795114637006, 3.4821767587122365, 9.639321199892736 ], [ 4.831318264840306, -0.41905814537307484, 4.949843768088361 ], [ 2.314596797775588, 1.1002293992972954, 4.950202285548696 ], [ 6.233653117842497, 5.001262363600157, 9.639825526916534 ], [ 9.457230698936755, 1.782505082178302, 4.949009022653322 ], [ 13.376616212544093, 5.683386927645813, 9.638709039997106 ], [ 9.206662810711057, 1.847281196912637, 7.668223027061598 ], [ 13.12545727157925, 5.748463790863358, 2.9785293892719302 ], [ 5.98205925730362, 5.068264358550133, 2.9783694579620774 ], [ 2.063056891263763, 1.166908473297117, 7.668408172430798 ], [ 12.226360020941677, 0.1962210418977799, 7.668461083800294 ], [ 16.14526562150384, 4.096951548874088, 12.357996025428344 ], [ 9.001578116016795, 3.4180914853667277, 2.9781587269131586 ], [ 5.082772056885649, -0.4835710925306591, 7.668254383905068 ], [ 10.821274778670851, 5.943445554847912, 3.9557635655913357 ], [ 6.902752474632752, 2.0418094080460296, 8.645253540535377 ], [ 10.128162424604813, -1.1776425778695923, 13.334767388704055 ], [ 14.04692246843879, 2.7238249841579214, 8.6449797601697 ], [ 4.161510457636214, 2.541214577245648, 3.9551294244826534 ], [ 8.080134497778563, 6.4423220162624455, 8.64460038686082 ], [ 11.305402199555923, 3.2230726065420963, 3.9555448074844444 ], [ 7.386860604646813, -0.6785803236068281, 8.645784064821864 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Ni", "Ni", "Ni", "Ni", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2020-04-30 01:22:24
[ 0.10526315789473684, 0.05263157894736842, 0.631578947368421, 0.21052631578947367 ]
[ [ 1.50543161, -0.20489867, -0.0093164 ], [ -0.20333718, 2.69372497, 0.0133884 ], [ -0.00932075, 0.01344193, 0.24131866 ] ]
-508.489939
[ 0, 0, 0, 0, 0, 0, 0, 0, -1.831, -1.831, 1.832, 1.831, -0.002, 0.002, -0.001, 0.001, 0.002, -0.002, -0.001, 0.001, -0.002, 0.002, 0.005, -0.005, 0.002, -0.002, 0.005, -0.005, -0.001, 0.001, 0, 0, 0.001, -0.001, 0, 0, 0.001, -0.001, -0.001, 0.001, 0.001, -0.001, -0.001, 0.001, 0.02, -0.02, 0.02, -0.02, 0.02, -0.02, 0.02, -0.02, 0.02, -0.02, 0.022, -0.022, -0.02, 0.02, 0.022, -0.022, 0.017, -0.017, 0.011, -0.011, 0.011, -0.011, 0.017, -0.017, -0.001, 0.001, -0.001, 0.001, 0.001, -0.001, 0.001, -0.001 ]
[ [ 0.00037512, -0.00121318, 0.0127252 ], [ 0.00039387, 0.00021459, 0.01176562 ], [ 0.00106297, 0.00060888, 0.01555508 ], [ -0.00053536, -0.0008193, 0.01488796 ], [ -0.00027829, -0.00031825, 0.01446405 ], [ -0.00026047, 0.00117109, 0.01236273 ], [ 0.00072259, 0.00082931, 0.01250155 ], [ -0.00055154, -0.00131755, 0.01216382 ], [ 0.01148696, 0.00837702, 0.0139024 ], [ 0.00194572, -0.00033383, 0.02165834 ], [ 0.00293476, 0.01408127, 0.00288734 ], [ -0.00238882, -0.0058635, 0.01140655 ], [ 0.0212354, 0.02527176, -0.0011221 ], [ 0.0154322, 0.00392557, -0.01168945 ], [ 0.02008525, 0.0145156, 0.01516382 ], [ 0.00851484, 0.00183562, 0.00745271 ], [ -0.01077359, 0.00073122, -0.01394847 ], [ -0.0213888, -0.0171054, 0.00578109 ], [ -0.0220103, -0.00429419, 0.01674134 ], [ -0.01532135, -0.00596014, 0.00913117 ], [ -0.03201529, -0.02342348, -0.001293 ], [ -0.02424352, -0.03112229, -0.00021669 ], [ -0.02049773, -0.01380972, -0.00245296 ], [ -0.02982302, -0.01986015, -0.00064622 ], [ 0.02351583, 0.03416266, 0.00008409 ], [ 0.02957412, 0.01739267, -0.00586266 ], [ 0.02243781, 0.01345881, 0.00478869 ], [ 0.02863112, 0.01674429, -0.00386793 ], [ -0.01184889, -0.02382587, 0.00897149 ], [ -0.01747476, -0.01917873, 0.01206021 ], [ -0.01643032, -0.02434956, 0.00801316 ], [ -0.01450191, -0.02049827, 0.0075435 ], [ 0.01920985, 0.01593374, 0.01421414 ], [ 0.01556746, 0.02240842, 0.00928169 ], [ 0.0168306, 0.02013286, 0.00949215 ], [ 0.01316674, 0.01995331, 0.00918371 ], [ -0.00189272, -0.01987013, -0.03061496 ], [ -0.00458474, -0.02235264, -0.03495259 ], [ -0.0074341, -0.0386724, -0.02405051 ], [ -0.00465901, -0.02669768, -0.02400348 ], [ 0.00428103, 0.0237395, -0.02524286 ], [ 0.00699083, 0.03195551, -0.0276175 ], [ 0.00433277, 0.01648974, -0.03539009 ], [ 0.00176158, 0.02918758, -0.0272575 ], [ 0.02576316, -0.0189694, 0.02402537 ], [ 0.02688292, -0.01557624, 0.02099564 ], [ 0.02841306, -0.02157764, 0.01597705 ], [ 0.02616006, -0.02807192, 0.01263113 ], [ -0.02886772, 0.01863155, 0.01872551 ], [ -0.02639701, 0.02561591, 0.01313833 ], [ -0.02936349, 0.01522787, 0.02016559 ], [ -0.02962753, 0.01510569, 0.01350076 ], [ 0.01080088, 0.00921686, 0.01275535 ], [ 0.00790631, 0.01636211, 0.01433248 ], [ 0.00674979, 0.00652463, 0.01356642 ], [ 0.01322275, 0.01182134, 0.01209599 ], [ -0.00994499, -0.01844374, 0.01433661 ], [ -0.0105871, -0.01201447, 0.01544493 ], [ -0.00582924, -0.00834863, 0.01538829 ], [ -0.01197499, -0.00869734, 0.0150603 ], [ 0.01697739, -0.01483411, -0.02264192 ], [ 0.01750791, -0.01280141, -0.0276431 ], [ 0.01078005, -0.00865265, -0.01912431 ], [ 0.01684339, -0.00969132, -0.02470485 ], [ -0.01208906, 0.00801661, -0.0203404 ], [ -0.01868105, 0.01274672, -0.02382346 ], [ -0.01817495, 0.01426381, -0.02794103 ], [ -0.01703136, 0.01259866, -0.02600294 ], [ 0.01135433, -0.00612561, -0.01326497 ], [ -0.00414271, -0.00871194, -0.00092321 ], [ 0.01505233, -0.00492434, -0.01258931 ], [ 0.01757501, -0.0046661, -0.01632092 ], [ -0.01762319, 0.00378557, -0.01363677 ], [ -0.0066238, 0.00790842, -0.00724032 ], [ -0.00102098, 0.00712791, -0.00542278 ], [ -0.015585, 0.00491837, -0.01447407 ] ]
0.001
0.822181
pbe
true
1d99bb54cf0cfc6bebf5af410524c9e2_5_Li8Ni4P16O48
[ "Li", "Ni", "O", "P" ]
80
A12B4C3D
LiNi4O12P3
Li4 Ni16 O48 P12
4
[ 1, 1, 1 ]
3
[ [ 6.24392016, 0, 0 ], [ 0, 14.17130351, 0 ], [ 0, 0, 9.7702979 ] ]
mp-757510
[ [ 0.3573717693848256, 3.5428258775, 7.292395591041263 ], [ 2.7645883106151743, 10.6284776325, 2.407246641041264 ], [ 3.4793318493848253, 3.5428258775, 7.363051258958736 ], [ 5.886548390615174, 10.6284776325, 2.4779023089587358 ], [ 0.9182985203849329, 8.45032079068419, 4.473320830108163 ], [ 0.9182985203849329, 12.806634474315809, 4.473320830108163 ], [ 0.8521115305872959, 8.734716461470345, 8.323859814167282 ], [ 0.8521115305872959, 12.522238803529653, 8.323859814167282 ], [ 2.269848549412704, 1.6490647064703448, 3.4387108641672817 ], [ 2.269848549412704, 5.436587048529655, 3.4387108641672817 ], [ 2.2036615596150675, 1.3646690356841906, 9.358469780108162 ], [ 2.2036615596150675, 5.720982719315809, 9.358469780108162 ], [ 4.040258600384933, 8.45032079068419, 0.41182811989183693 ], [ 4.040258600384933, 12.806634474315809, 0.41182811989183693 ], [ 3.974071610587296, 8.734716461470345, 6.331587035832717 ], [ 3.974071610587296, 12.522238803529653, 6.331587035832717 ], [ 5.391808629412704, 1.6490647064703448, 1.446438085832718 ], [ 5.391808629412704, 5.436587048529655, 1.446438085832718 ], [ 5.3256216396150675, 5.720982719315809, 5.296977069891836 ], [ 5.3256216396150675, 1.3646690356841906, 5.296977069891836 ], [ 6.193314810522441, 3.5428258775, 3.9359902048984767 ], [ 0.8581569565254096, 8.13668674478317, 1.278364829316905 ], [ 0.8581569565254096, 13.12026852021683, 1.278364829316905 ], [ 2.2638031234745903, 1.0510349897831694, 6.163513779316904 ], [ 2.2638031234745903, 6.03461676521683, 6.163513779316904 ], [ 3.172565429477559, 10.6284776325, 8.821139154898477 ], [ 3.0713547305224416, 3.5428258775, 0.9491587451015229 ], [ 3.9801170365254097, 8.13668674478317, 3.606784120683095 ], [ 3.9801170365254097, 13.12026852021683, 3.606784120683095 ], [ 5.38576320347459, 6.03461676521683, 8.491933070683094 ], [ 5.38576320347459, 1.0510349897831694, 8.491933070683094 ], [ 0.050605349477558396, 10.6284776325, 5.834307695101522 ], [ 0.2193291219938928, 1.6737165392042004, 9.44586812361601 ], [ 0.2193291219938928, 5.411935215795799, 9.44586812361601 ], [ 0.38135647745623197, 10.6284776325, 4.332539532934294 ], [ 0.6608157993749567, 9.323471910288434, 6.395658793104316 ], [ 0.6608157993749567, 11.933483354711564, 6.395658793104316 ], [ 0.3757823426117952, 0.1967424740378916, 2.0161489438276887 ], [ 0.3757823426117952, 6.888909280962108, 2.0161489438276887 ], [ 1.1161129666835135, 0.718139308151356, 5.089983929394353 ], [ 1.1161129666835135, 6.367512446848644, 5.089983929394353 ], [ 1.3286482664689152, 9.139080152398614, 2.327324431783516 ], [ 1.3286482664689152, 12.117875112601386, 2.327324431783516 ], [ 1.4798772615281472, 3.5428258775, 3.7087058166133358 ], [ 1.6420828184718528, 10.6284776325, 8.593854766613335 ], [ 1.7933118135310848, 5.032223357601385, 7.212473381783515 ], [ 1.7933118135310848, 2.0534283973986147, 7.212473381783515 ], [ 2.0058471133164866, 7.8037910631513565, 0.20483497939435297 ], [ 2.0058471133164866, 13.453164201848644, 0.20483497939435297 ], [ 2.746177737388205, 7.282394229037892, 6.901297893827688 ], [ 2.746177737388205, 13.974561035962108, 6.901297893827688 ], [ 2.461144280625043, 2.237820155288436, 1.510509843104317 ], [ 2.461144280625043, 4.847831599711564, 1.510509843104317 ], [ 2.740603602543768, 3.5428258775, 9.217688482934294 ], [ 2.902630958006107, 8.7593682942042, 4.560719173616012 ], [ 2.902630958006107, 12.4975869707958, 4.560719173616012 ], [ 3.3412892019938933, 1.6737165392042004, 5.209578726383987 ], [ 3.3412892019938933, 5.411935215795799, 5.209578726383987 ], [ 3.5033165574562317, 10.6284776325, 0.552609417065706 ], [ 3.782775879374957, 9.323471910288434, 8.259788056895683 ], [ 3.782775879374957, 11.933483354711564, 8.259788056895683 ], [ 3.4977424226117955, 0.1967424740378916, 2.869000006172311 ], [ 3.4977424226117955, 6.888909280962108, 2.869000006172311 ], [ 4.238073046683514, 6.367512446848644, 9.565462920605645 ], [ 4.238073046683514, 0.718139308151356, 9.565462920605645 ], [ 4.450608346468915, 9.139080152398614, 2.5578245182164836 ], [ 4.450608346468915, 12.117875112601386, 2.5578245182164836 ], [ 4.601837341528148, 3.5428258775, 1.1764431333866638 ], [ 4.764042898471852, 10.6284776325, 6.061592083386664 ], [ 4.915271893531085, 2.0534283973986147, 7.442973468216484 ], [ 4.915271893531085, 5.032223357601385, 7.442973468216484 ], [ 5.127807193316486, 7.8037910631513565, 4.6803139706056465 ], [ 5.127807193316486, 13.453164201848644, 4.6803139706056465 ], [ 5.868137817388204, 7.282394229037892, 7.754148956172311 ], [ 5.868137817388204, 13.974561035962108, 7.754148956172311 ], [ 5.583104360625043, 2.237820155288436, 3.3746391068956827 ], [ 5.583104360625043, 4.847831599711564, 3.3746391068956827 ], [ 5.862563682543769, 3.5428258775, 5.4377583670657055 ], [ 6.024591038006107, 8.7593682942042, 0.324429776383988 ], [ 6.024591038006107, 12.4975869707958, 0.324429776383988 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "Li", "Li", "Li", "Li", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2014-05-08 11:29:41
[ 0.05, 0.2, 0.6, 0.15 ]
[]
-495.43613
[ 0, 0, 0, 0, 1.808, 1.808, 1.797, 1.797, 1.797, 1.797, 1.808, 1.808, 1.808, 1.808, 1.797, 1.797, 1.797, 1.797, 1.808, 1.808, 0.004, 0.004, 0.004, 0.004, 0.004, 0.004, 0.004, 0.004, 0.004, 0.004, 0.004, 0.004, 0.062, 0.062, 0.055, 0.058, 0.058, 0.036, 0.036, 0.076, 0.076, 0.026, 0.026, 0.049, 0.049, 0.026, 0.026, 0.076, 0.076, 0.036, 0.036, 0.058, 0.058, 0.055, 0.062, 0.062, 0.062, 0.062, 0.055, 0.058, 0.058, 0.036, 0.036, 0.076, 0.076, 0.026, 0.026, 0.049, 0.049, 0.026, 0.026, 0.076, 0.076, 0.036, 0.036, 0.058, 0.058, 0.055, 0.062, 0.062 ]
[]
31.368
3.752557
pbe
true
263b1c90e9ddf657b730928c1fec33a1_62_Li4Ni16P12O48
[ "Mg", "Rh", "Th" ]
12
ABC
MgRhTh
Th4 Mg4 Rh4
3
[ 1, 1, 1 ]
3
[ [ 4.17192003, 0, 0 ], [ 0, 7.21772419, 0 ], [ 0, 0, 8.81085191 ] ]
agm002344677
[ [ 3.1289400225, 2.676182867115751, 4.8988127802409736 ], [ 1.0429800075, 4.541541322884249, 3.9120391297590267 ], [ 1.0429800075, 0.9326792278842493, 0.4933868252409733 ], [ 3.1289400225, 6.285044962115752, 8.317465084759027 ], [ 1.0429800075, 5.291339587496084, 1.1159291972665444 ], [ 1.0429800075, 1.682477492496084, 3.2894967577334553 ], [ 3.1289400225, 1.926384602503916, 7.694922712733455 ], [ 3.1289400225, 5.535246697503917, 5.521355152266545 ], [ 1.0429800075, 3.906348681341943, 7.222701051625126 ], [ 3.1289400225, 6.920237603658058, 2.817275096625127 ], [ 3.1289400225, 3.311375508658057, 1.5881508583748731 ], [ 1.0429800075, 0.2974865863419428, 5.993576813374874 ] ]
[{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}]
[ "Mg", "Mg", "Mg", "Mg", "Rh", "Rh", "Rh", "Rh", "Th", "Th", "Th", "Th" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 3.8150275, 0, 0 ], [ 0, 3.5044491, 0 ], [ 0, 0, 3.0886219 ] ]
-73.436675
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0.00077717, -0.00219354 ], [ 0, -0.00077717, 0.00219354 ], [ 0, -0.00077717, -0.00219354 ], [ 0, 0.00077717, 0.00219354 ], [ 0, -0.0137936, 0.0023557 ], [ 0, -0.0137936, -0.0023557 ], [ 0, 0.0137936, -0.0023557 ], [ 0, 0.0137936, 0.0023557 ], [ 0, -0.00388064, 0.00141096 ], [ 0, 0.00388064, 0.00141096 ], [ 0, 0.00388064, -0.00141096 ], [ 0, -0.00388064, -0.00141096 ] ]
-0.000001
8.993484
pbe
true
2e309c4fdc4c2afed69fe3501cc4879d_62_Th4Mg4Rh4
[ "Li", "Ni", "O", "P" ]
168
A4BCD
LiNiO4P
Li24 Ni24 O96 P24
4
[ 1, 1, 1 ]
3
[ [ 9.90099397, 0.00000594, 0 ], [ -4.95050144, 8.57450914, 0 ], [ 0, 0, 22.58012939 ] ]
mp-757867
[ [ -4.256483187206257, 8.076627080896998, 9.331448239819533 ], [ -2.145859124234484, 4.9891906526921135, 20.623144123366668 ], [ -1.9343149468313408, 4.444859057347269, 5.748070445535035 ], [ -2.2599212790021945, 4.000687473368474, 13.272968337352351 ], [ -0.35584358157979057, 8.531314876429702, 20.79967060730922 ], [ -0.1339729854146546, 8.027245766343816, 13.274772715491904 ], [ 0.08417434377203803, 0.8499699996838259, 1.8047459698626631 ], [ 0.4431942171555095, 7.9382826341339765, 5.569739583452926 ], [ 0.7781778935853254, 0.35209642933899254, 5.568108394905793 ], [ 1.7026559970789743, 4.221550933173909, 13.096441853409797 ], [ 2.0682938737414056, 4.6769108218057145, 20.801474985448774 ], [ 2.6157559505819856, 4.617021870201823, 5.7462660673954815 ], [ 2.3347365794180144, 3.957493209798177, 17.03633076239548 ], [ 2.882198656258595, 3.8976042581942854, 9.511410290448776 ], [ 3.2478365329210255, 4.35296414682609, 1.8063771584097967 ], [ 4.172314636414675, 8.222418650661007, 16.858173089905794 ], [ 4.50729831284449, 0.636232445866023, 16.859804278452927 ], [ 4.8663181862279625, 7.724545080316173, 13.094810664862662 ], [ 5.084465515414654, 0.547269313656184, 1.9847080204919056 ], [ 5.306336111579791, 0.043200203570298, 9.50960591230922 ], [ 7.210413809002194, 4.573827606631525, 1.9829036423523507 ], [ 6.884807476831341, 4.129656022652731, 17.038135140535037 ], [ 7.096351654234484, 3.585324427307887, 9.333079428366666 ], [ 9.206975717206257, 0.4978879991030014, 20.62151293481953 ], [ -2.6721117754036294, 7.123266100746983, 15.331704860446782 ], [ -2.536559787402851, 7.686660416671092, 0.3047412004461461 ], [ -2.06638323496398, 6.672289056525699, 8.545318099689862 ], [ -0.4380710920440424, 2.534459171365588, 15.358168320489277 ], [ -0.03962001464248628, 6.001129426033927, 18.438594506330563 ], [ -0.2268281153881884, 5.5396380108393775, 10.911869656244303 ], [ 0.26643922003067466, 5.608256783126696, 3.3851673862874323 ], [ 0.11761869331226653, 2.698764906013706, 7.804980010360524 ], [ 0.20531210026819804, 3.448829665920031, 1.0186158297329924 ], [ 1.861062373210737, 7.027905411809239, 16.072042949776122 ], [ 1.975870560553107, 1.6466104480366803, 19.121508165403014 ], [ 2.396008357908638, 1.247521866760689, 11.568342435403656 ], [ 2.5544841720913625, 7.3269932132393105, 0.2782777404036539 ], [ 2.974621969446894, 6.927904631963321, 7.831443470403016 ], [ 3.089430156789264, 1.5466096681907615, 4.7819782547761225 ], [ 4.7451804297318025, 5.125685414079969, 12.308680524732994 ], [ 4.8328738366877335, 5.875750173986294, 19.095044705360525 ], [ 4.684053309969325, 2.9662582968733044, 14.675232081287433 ], [ 5.177320645388188, 3.034877069160623, 22.201956931373694 ], [ 4.9901125446424865, 2.573385653966073, 7.148529811330563 ], [ 5.388563622044042, 6.040055908634413, 4.068103625489276 ], [ 7.016875764963981, 1.9022260234743011, 19.835382794689863 ], [ 7.487052317402852, 0.8878546633289075, 11.594805895446147 ], [ 7.6226043054036285, 1.451248979253017, 4.041640165446784 ], [ -2.5331082652568453, 7.332203035627573, 18.362368957138386 ], [ -2.615334101058348, 6.687506857026199, 11.56590468463471 ], [ -2.029878457641502, 7.509472800897342, 3.3123961452893402 ], [ -0.5379627912510544, 3.061851970767004, 18.36580068520308 ], [ -0.20953130972606565, 5.888582164534154, 0.1635928116292561 ], [ -0.13282774950581203, 2.7146769923541845, 10.835644107052127 ], [ -0.04439878892388001, 5.4487556660003715, 15.217019931672386 ], [ 0.2539358916304018, 5.8116779007073065, 7.6903176617155165 ], [ 0.4666084434825326, 2.9658154654635718, 4.039202414677839 ], [ 2.1487167475758153, 7.495701897510229, 19.09260695459158 ], [ 2.382660339622398, 1.9968155459193133, 22.12916311024621 ], [ 2.284565425237342, 1.472370887981758, 14.599006532095256 ], [ 2.6659271047626576, 7.102144192018242, 3.3089418370952584 ], [ 2.5678321903776014, 6.577699534080686, 10.83909841524621 ], [ 2.8017757824241842, 1.0788131824897709, 7.80254225959158 ], [ 4.483884086517468, 5.6086996145364285, 15.32926710967784 ], [ 4.696556638369599, 2.762837179292693, 18.980382356715516 ], [ 4.99489131892388, 3.125759413999629, 3.9269552366723857 ], [ 5.083320279505811, 5.859838087645816, 22.125708802052127 ], [ 5.1600238397260645, 2.6859329154658464, 11.453657506629256 ], [ 5.488455321251056, 5.512663109232996, 7.07573599020308 ], [ 6.980370987641502, 1.0650422791026586, 14.602460840289341 ], [ 7.565826631058348, 1.8870082229738012, 0.2758399896347095 ], [ 7.483600795256846, 1.2423120443724267, 7.072304262138388 ], [ -3.357871528154921, 6.036072859387208, 18.08727659558778 ], [ -3.50552687054176, 8.394309175080462, 18.912522745462336 ], [ -3.3361404077352903, 5.896879987753902, 12.688972580105139 ], [ -3.40615637956166, 8.000508045746285, 11.286995378012017 ], [ -2.877692969395919, 8.50438202136615, 4.155081380694381 ], [ -2.8759604561377183, 6.241042573238383, 3.025877786664806 ], [ -2.546456881810383, 5.802829039045223, 10.280881262717093 ], [ -1.8854294765648254, 7.768930335671416, 17.014659257412134 ], [ -1.635650768366975, 8.156447157313298, 1.960088228014107 ], [ -1.578203730161307, 5.515417032973647, 15.195771804115102 ], [ -1.572904405197028, 6.151669071642939, 22.075745298148288 ], [ -1.3715578998963582, 7.121932515426412, 19.376163477644027 ], [ -1.1404146672731483, 5.742868405145731, 7.020901500787228 ], [ -1.1470628322901404, 6.970179477120043, 11.963949463534567 ], [ -1.2953727996586442, 3.079775847971613, 17.013515348057236 ], [ -0.7316782214722004, 7.174275065294855, 4.085839188118651 ], [ -0.8967681076886599, 4.35371664610424, 19.13926630816178 ], [ -0.9756721739303514, 1.8301682312446754, 19.208508500737512 ], [ -0.8348840435454488, 3.057219583954951, 9.487956987455265 ], [ -0.5664293837891137, 1.3414845663949184, 11.385820475505467 ], [ -0.5478226802878666, 5.31819212552856, 1.5997617488498919 ], [ -0.2750728822384494, 1.6244426118799047, 3.7602931080551474 ], [ -0.5315032351206501, 3.825744368892107, 11.849461207687158 ], [ -0.5123287640988361, 4.096039325855096, 4.437247193577698 ], [ -0.07089057536351571, 6.389841794776917, 9.126464018806763 ], [ 0.40944281288565726, 4.136504973647408, 14.549043028191416 ], [ 0.6187191971467929, 5.440981725191323, 16.653166288763632 ], [ 0.5472297936794623, 4.715452341193349, 22.07432862083036 ], [ 0.5931761121086405, 6.690703387915887, 14.547603770744098 ], [ 0.6150821022241294, 7.183565499689905, 0.1423446840719722 ], [ 0.9630980149567206, 4.450050176094617, 7.669069534158233 ], [ 0.8785450371541721, 1.1612846872204128, 15.149182900548597 ], [ 1.0971361481587762, 1.7600411983558562, 0.39171895565125053 ], [ 0.9835710231239861, 2.963338599061401, 18.079304906707936 ], [ 1.1983282707332659, 3.467795281809702, 2.754156412630832 ], [ 1.1634526823113702, 6.860850174709653, 7.022318178105157 ], [ 1.2692721781998908, 1.0504415176261888, 7.523632952968887 ], [ 1.4020355087377456, 2.6484762488063844, 10.560574325630911 ], [ 1.5117145155822052, 2.736892396229475, 5.162270310148269 ], [ 1.6593826863889773, 6.0828054170248596, 19.49067431362083 ], [ 1.3481345525725275, 7.878391324641876, 17.807583532673963 ], [ 1.903052225017009, 6.201347335681482, 4.322736357600897 ], [ 2.0194778719743818, 2.661713865284912, 20.776877773100367 ], [ 1.8244169821530853, 8.515251836016622, 20.215697430191398 ], [ 1.6284521221413168, 5.6210240198427375, 11.612564038204912 ], [ 2.230187919889726, 2.2516407796263676, 13.251296832369006 ], [ 1.8923805230137325, 7.944643047700216, 10.552580056621675 ], [ 1.9558271094171742, 8.464475111806408, 3.0338494755446517 ], [ 2.994665420582825, 0.11003996819359299, 14.32391417054465 ], [ 3.058112006986268, 0.6298720322997838, 21.842644751621677 ], [ 2.720304610110274, 6.322874300373633, 1.9612321373690045 ], [ 3.3220404078586827, 2.953491060157263, 0.3224993432049116 ], [ 3.1260755478469155, 0.059263243983376804, 8.9256327351914 ], [ 2.931014658025619, 5.912801214715088, 9.486813078100367 ], [ 3.0474403049829912, 2.3731677443185184, 15.612801052600899 ], [ 3.6023579774274723, 0.6961237553581249, 6.517518837673962 ], [ 3.291109843611023, 2.4917096629751403, 8.200609618620827 ], [ 3.4387780144177937, 5.837622683770525, 16.452335005148267 ], [ 3.5484570212622546, 5.926038831193615, 21.85063902063091 ], [ 3.68122035180011, 7.524073562373811, 18.813697647968887 ], [ 3.7870398476886296, 1.7136649052903472, 18.312382873105157 ], [ 3.7521642592667344, 5.106719798190298, 14.04422110763083 ], [ 3.9669215068760137, 5.6111764809385996, 6.789240211707936 ], [ 3.8533563818412238, 6.814473881644144, 11.68178365065125 ], [ 4.071947492845829, 7.413230392779587, 3.859118205548597 ], [ 3.9873945150432792, 4.124464903905383, 18.95913422915823 ], [ 4.33541042777587, 1.3909495803100955, 11.432409379071972 ], [ 4.35731641789136, 1.8838116920841128, 3.2575390757440985 ], [ 4.403262736320538, 3.859062738806651, 10.78426392583036 ], [ 4.331773332853207, 3.1335333548086775, 5.3631015937636315 ], [ 4.541049717114343, 4.438010106352591, 3.2589783331914175 ], [ 5.021383105363516, 2.184673285223083, 20.41652871380676 ], [ 5.462821294098836, 4.478475754144903, 15.727311888577697 ], [ 5.48199576512065, 4.748770711107893, 0.5593965126871575 ], [ 5.22556541223845, 6.950072468120096, 15.050357803055148 ], [ 5.498315210287867, 3.25632295447144, 12.889826443849891 ], [ 5.516921913789113, 7.233030513605081, 0.0957557805054669 ], [ 5.785376573545448, 5.517295496045049, 20.778021682455265 ], [ 5.926164703930352, 6.744346848755324, 7.918443805737511 ], [ 5.8472606376886604, 4.22079843389576, 7.849201613161782 ], [ 5.682170751472201, 1.4002400147051453, 15.375903883118651 ], [ 6.245865329658645, 5.494739232028388, 5.723450653057237 ], [ 6.09755536229014, 1.6043356028799562, 0.6738847685345685 ], [ 6.090907197273149, 2.831646674854268, 18.31096619578723 ], [ 6.3220504298963585, 1.4525825645735886, 8.086098782644028 ], [ 6.523396935197028, 2.4228460083570607, 10.785680603148288 ], [ 6.528696260161307, 3.059098047026353, 3.905707109115102 ], [ 6.5861432983669745, 0.41806792268670084, 13.250152923014108 ], [ 6.835922006564826, 0.8055847443285834, 5.724594562412134 ], [ 7.496949411810384, 2.771686040954777, 21.57094595771709 ], [ 7.82645298613772, 2.333472506761617, 14.315942481664804 ], [ 7.828185499395919, 0.0701330586338512, 15.44514607569438 ], [ 8.35664890956166, 0.5740070342537158, 22.577060073012017 ], [ 8.28663293773529, 2.677635092246098, 1.3989078851051395 ], [ 8.45601940054176, 0.18020590491953759, 7.622458050462337 ], [ 8.30836405815492, 2.5384422206127915, 6.797211900587781 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2015-01-30 04:32:28
[ 0.14285714285714285, 0.14285714285714285, 0.5714285714285714, 0.14285714285714285 ]
[]
-1,039.122058
[ 0, 0.001, 0, 0, 0, 0, 0, 0.001, 0, 0, 0, 0, 0, 0, 0, 0, 0.001, 0, 0, 0, 0, 0, 0.001, 0, 1.802, 1.792, 1.773, 1.792, 1.784, 1.784, 1.784, 1.802, 1.774, 1.773, 1.793, 1.802, 1.802, 1.793, 1.773, 1.774, 1.802, 1.784, 1.784, 1.784, 1.792, 1.773, 1.792, 1.802, 0.004, 0.003, 0.005, 0.005, 0.004, 0.004, 0.004, 0.004, 0.003, 0.003, 0.005, 0.004, 0.004, 0.005, 0.003, 0.003, 0.004, 0.004, 0.004, 0.004, 0.005, 0.005, 0.003, 0.004, 0.034, 0.035, 0.033, 0.011, 0.038, 0.034, 0.057, 0.044, 0.028, 0.035, 0.038, 0.025, 0.041, 0.04, 0.029, 0.04, 0.041, 0.038, 0.044, 0.035, 0.05, 0.011, 0.024, 0.04, 0.05, 0.038, 0.05, 0.041, 0.041, 0.035, 0.035, 0.035, 0.037, 0.034, 0.057, 0.038, 0.01, 0.034, 0.033, 0.04, 0.056, 0.024, 0.029, 0.033, 0.04, 0.044, 0.034, 0.035, 0.035, 0.034, 0.044, 0.04, 0.033, 0.029, 0.024, 0.056, 0.04, 0.033, 0.034, 0.01, 0.038, 0.057, 0.034, 0.037, 0.035, 0.035, 0.035, 0.041, 0.041, 0.05, 0.038, 0.05, 0.04, 0.024, 0.011, 0.05, 0.035, 0.044, 0.038, 0.041, 0.04, 0.029, 0.04, 0.041, 0.025, 0.038, 0.035, 0.028, 0.044, 0.057, 0.034, 0.038, 0.011, 0.033, 0.035, 0.034 ]
[]
46.506
1.754505
pbe
true
e7a231d40d40e181a5e822e6724be2ed_170_Li24Ni24P24O96
[ "Ge", "Li", "Sm" ]
10
A2B2C
Ge2LiSm2
Li2 Sm4 Ge4
3
[ 1, 1, 1 ]
3
[ [ 4.33629257, 0, 0 ], [ 0, 7.36881496, 0 ], [ 0, 0, 7.36881496 ] ]
agm002283640
[ [ 0, 6.462851509765674, 4.590370930234326 ], [ 0, 0.9059634502343256, 2.7784440297656743 ], [ 0, 2.7784440297656743, 6.462851509765674 ], [ 0, 4.590370930234326, 0.9059634502343256 ], [ 2.168146285, 4.9969234102718945, 6.056299029728105 ], [ 2.168146285, 2.3718915497281055, 1.3125159302718943 ], [ 2.168146285, 1.3125159302718943, 4.9969234102718945 ], [ 2.168146285, 6.056299029728105, 2.3718915497281055 ], [ 0, 0, 0 ], [ 0, 3.68440748, 3.68440748 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}]
[ "Ge", "Ge", "Ge", "Ge", "Sm", "Sm", "Sm", "Sm", "Li", "Li" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.4 ]
[ [ -0.8084124, 0, 0 ], [ 0, 2.1084566, 0 ], [ 0, 0, 2.1084566 ] ]
-48.337088
[ 0, -0.001, 0, 0.001, -0.002, 0.001, 0.002, -0.001, 0, 0 ]
[ [ 0, 0.00744112, -0.00744112 ], [ 0, -0.00744112, 0.00744112 ], [ 0, 0.00744112, 0.00744112 ], [ 0, -0.00744112, -0.00744112 ], [ 0, 0.0044702, -0.0044702 ], [ 0, -0.0044702, 0.0044702 ], [ 0, 0.0044702, 0.0044702 ], [ 0, -0.0044702, -0.0044702 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000008
8.758857
pbe
true
5d96973ea035620e13c046258d199f8c_127_Li2Sm4Ge4
[ "Li", "Ni", "O", "Sb" ]
20
A10B5C3D2
Li5Ni3O10Sb2
Li5 Ni3 Sb2 O10
4
[ 1, 1, 1 ]
3
[ [ 4.36151505, -1.65885664, -2.47132491 ], [ -3.42565949, 6.80840505, 2.70202358 ], [ -3.78456893, -0.64538014, 10.05916842 ] ]
agm005277367
[ [ -3.9637237962403242, 4.7405139825277764, 5.8712552381761665 ], [ 0.2469656003838237, -0.8488765207099136, 7.088205252865859 ], [ -1.892284465, -0.32269007, 5.02958421 ], [ -3.0956789703838234, 5.353044790709914, 3.2016618371341417 ], [ 1.1150104262403255, -0.23634571252777614, 4.418611851823835 ], [ -1.712829745, 3.404202525, 1.35101179 ], [ -6.087007906709387, 5.6311006898104035, 10.463789892411949 ], [ 3.238294536709388, -1.1269324198104036, -0.17392280241194832 ], [ -4.600819285537746, 3.5799577329253105, 8.66547346928724 ], [ 1.7521059155377467, 0.9242105370746894, 1.6243936207127596 ], [ -2.94125898049813, 2.4160855022866943, 8.745800607235454 ], [ -4.424587436380854, 4.34352291160907, 10.582750699369337 ], [ -1.9455694802872805, 3.1602955390395095, 6.00597022392323 ], [ -1.411153275506806, 4.07926439983711, 3.284578020563974 ], [ -3.4786136659543563, 5.068039196439819, 7.886111852500754 ], [ 0.6299002959543567, -0.5638709264398183, 2.403755237499247 ], [ -1.4375600944931937, 0.42490387016289, 7.005289069436027 ], [ -0.9031438897127185, 1.343872730960491, 4.283896866076771 ], [ 1.575874066380855, 0.16064535839093008, -0.2928836093693359 ], [ 0.09254561049813069, 2.0880827677133054, 1.5440664827645458 ] ]
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}]
[ "Li", "Li", "Li", "Li", "Li", "Ni", "Ni", "Ni", "Sb", "Sb", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.25, 0.15, 0.5, 0.1 ]
[ [ 3.5081728, -1.2070963, -4.1613917 ], [ -1.2070967, 1.664233, 2.2860892 ], [ -4.161392, 2.2860885, 8.492546 ] ]
-105.969384
[ -0.002, 0.004, 0.006, 0.004, -0.002, 1.704, 1.711, 1.711, -0.042, -0.042, 0.037, 0.06, 0.008, 0.025, 0.011, 0.011, 0.025, 0.008, 0.06, 0.037 ]
[ [ 0.00127252, -0.00092464, -0.00092675 ], [ -0.00299053, -0.00097911, 0.00041263 ], [ 0, 0, 0 ], [ 0.00299053, 0.00097911, -0.00041263 ], [ -0.00127252, 0.00092464, 0.00092675 ], [ 0, 0, 0 ], [ 0.00114421, -0.00068423, 0.00240407 ], [ -0.00114421, 0.00068423, -0.00240407 ], [ 0.00158649, 0.00085095, 0.00399473 ], [ -0.00158649, -0.00085095, -0.00399473 ], [ 0.00028489, 0.001816, 0.00247635 ], [ 0.00000684, -0.00047519, 0.00029008 ], [ 0.00013247, 0.00312029, 0.00100115 ], [ -0.00196119, 0.00099198, 0.000745 ], [ -0.00200586, 0.00272217, -0.00303184 ], [ 0.00200586, -0.00272217, 0.00303184 ], [ 0.00196119, -0.00099198, -0.000745 ], [ -0.00013247, -0.00312029, -0.00100115 ], [ -0.00000684, 0.00047519, -0.00029008 ], [ -0.00028489, -0.001816, -0.00247635 ] ]
5.341691
2.014757
pbe
true
f2c7ada815d5c96b43cbd767a4aa42f4_2_Li5Ni3Sb2O10
[ "Ge", "Mg", "Si" ]
5
A2B2C
Ge2MgSi2
Mg1 Si2 Ge2
3
[ 1, 1, 1 ]
3
[ [ 3.66551589, 0, 0 ], [ 0, 3.66551589, 0 ], [ 1.83275795, 1.83275795, 7.04124645 ] ]
agm002931452
[ [ 0, 0, 0 ], [ 1.8327579460977848, 1.8327579460977848, 1.545954524347863 ], [ 3.6655158939022154, 3.6655158939022154, 5.495291925652137 ], [ 3.6655158925, 1.8327579475, 3.520623225 ], [ 1.8327579475, 3.6655158925, 3.520623225 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Mg", "Ge", "Ge", "Si", "Si" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.4 ]
[ [ 2.1189015, 0, 0 ], [ 0, 2.1189015, 0 ], [ 0, 0, 1.7270654 ] ]
-20.308005
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, -0.01099222 ], [ 0, 0, 0.01099222 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
2.160776
pbe
true
bf49cd87b8c3e89dea881c587b76aafc_139_Mg1Si2Ge2
[ "Li", "Ni", "O", "Si" ]
22
A6B2C2D
Li2NiO6Si2
Li4 Si4 Ni2 O12
4
[ 1, 1, 1 ]
3
[ [ 5.56913265, 0.00353622, 0.0039389 ], [ -2.53932032, 4.95652129, 0.0039389 ], [ -0.15917874, -0.26058897, 9.40048668 ] ]
agm003281954
[ [ 2.9608632313929206, 1.741117976934054, 8.286696999090502 ], [ 0.27695974251803956, 3.559470457916844, 3.586453659090502 ], [ 2.593673847481961, 1.1399980820831563, 5.8219108209094985 ], [ -0.0902296413929205, 2.958350563065947, 1.1216674809094982 ], [ 2.184435718593346, 4.1088858378580975, 5.951360260686403 ], [ 2.7380450059659567, 3.9496289642554485, 1.251116920686404 ], [ 0.13258858403404342, 0.7498395757445514, 8.157247559313596 ], [ 0.6861978714066543, 0.5905827021419034, 3.457004219313596 ], [ -0.5838447504397439, 3.493667791004857, 7.05430391 ], [ 3.454478340439744, 1.205800748995143, 2.35406057 ], [ 4.501954689633358, 0.3870469856681228, 7.05430391 ], [ -1.6313210996333583, 4.312421554331878, 2.35406057 ], [ -0.07958937, -0.130294485, 4.70024334 ], [ 0, 0, 0 ], [ 3.110933029091721, 2.9315817527104384, 6.599180451867877 ], [ 1.267614858851146, 4.2364692671131845, 1.8989371118678768 ], [ 1.6030187311488544, 0.4629992728868159, 7.5094273681321235 ], [ -0.2402994390917205, 1.7678867872895616, 2.8091840281321234 ], [ 0.6824204035525046, 3.660444086456912, 5.521884523519764 ], [ 3.0247748494085998, 2.408546224889888, 0.8216411835197642 ], [ -0.1541412594085994, 2.290922315110113, 8.586723296480235 ], [ 2.188213186447496, 1.0390244535430884, 3.886479956480236 ] ]
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Li", "Li", "Li", "Li", "Si", "Si", "Si", "Si", "Ni", "Ni", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.18181818181818182, 0.09090909090909091, 0.5454545454545454, 0.18181818181818182 ]
[ [ 0.551004, 0.05474671, 0.13924006 ], [ 0.05474671, 0.60718733, 0.2279477 ], [ 0.13924, 0.22794756, 0.5606755 ] ]
-144.067356
[ 0.001, 0.001, 0.001, 0.001, 0.002, 0.002, 0.002, 0.002, 1.809, 1.809, 0.004, 0.004, 0.004, 0.004, 0.037, 0.037, 0.037, 0.037, 0.03, 0.03, 0.03, 0.03 ]
[ [ 0.0009855, 0.00427885, -0.00012298 ], [ 0.00335702, 0.00283023, -0.00012298 ], [ -0.00335702, -0.00283023, 0.00012298 ], [ -0.0009855, -0.00427885, 0.00012298 ], [ -0.00240386, 0.00052298, 0.00301598 ], [ 0.00156273, -0.00189998, 0.00301598 ], [ -0.00156273, 0.00189998, -0.00301598 ], [ 0.00240386, -0.00052298, -0.00301598 ], [ -0.00104445, 0.00063799, 0 ], [ 0.00104445, -0.00063799, 0 ], [ 0.00073433, -0.00044856, 0 ], [ -0.00073433, 0.00044856, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00076091, 0.00163152, 0.0004504 ], [ 0.0011042, 0.00142182, 0.0004504 ], [ -0.0011042, -0.00142182, -0.0004504 ], [ -0.00076091, -0.00163152, -0.0004504 ], [ 0.00068838, -0.00185503, -0.00368172 ], [ -0.0019647, -0.00023442, -0.00368172 ], [ 0.0019647, 0.00023442, 0.00368172 ], [ -0.00068838, 0.00185503, 0.00368172 ] ]
4.066751
0
pbe
true
1e76375508483a1e648058dbf39622c0_15_Li4Si4Ni2O12
[ "Li", "Ni", "O", "Si" ]
56
A7B4C2D
Li4NiO7Si2
Li16 Ni4 O28 Si8
4
[ 1, 1, 1 ]
3
[ [ 0.00000157, 5.47441298, -0.00000558 ], [ -13.32243392, -0.00000314, 0.23209627 ], [ -0.64492089, -0.0000081, 8.0179239 ] ]
mp-767687
[ [ -6.217541756709599, 0.8681599485274567, 7.1230430970820855 ], [ -12.878924464688883, 3.6055503965098934, 7.238924323621035 ], [ -5.895246891049614, 4.606062798402835, 3.113916343486468 ], [ -12.556297688183163, 1.8690411967843146, 3.2301295378039367 ], [ -4.270583306650291, 0.944346587205812, 4.849474773438914 ], [ -10.931650169103518, 3.681749571449687, 4.96557084154021 ], [ -3.947978245280393, 4.529869206382922, 0.8405615931335209 ], [ -10.609342730546784, 1.792859320153292, 0.9565595880115624 ], [ -3.569093162240327, 1.9336032882608232, 7.648851712617069 ], [ -10.230492092550705, 4.6709144669451, 7.764526088823309 ], [ -3.24681133520871, 3.5406916698176434, 3.6395194137408704 ], [ -9.907851645152931, 0.8035890466837968, 3.7559396385350645 ], [ -6.627318360265284, 3.7600283017787564, 0.297875425124848 ], [ -13.288632395895718, 1.0228527600798498, 0.4136150461644341 ], [ -6.949884852185621, 1.7143469235362405, 4.306549533802886 ], [ -13.610994230804193, 4.451588905036216, 4.422896311574181 ], [ -5.32071728949043, 3.6670320655259028, 6.0190626224725055 ], [ -11.981107572623978, 0.9307366999383965, 6.135013059051013 ], [ -4.997424991774079, 1.8064579419037172, 2.0100103226055643 ], [ -11.65946354863096, 4.544577417050528, 2.1261624710232505 ], [ -1.4312432152697951, 1.8186394576839882, 5.370216439185039 ], [ -8.093045760030444, 4.555110368853739, 5.48566725517023 ], [ -1.1093497365017038, 3.656505441131339, 1.3606797756541165 ], [ -7.770000203081826, 0.9185544481066344, 1.4772979406909312 ], [ -9.126763421071013, 1.8583675453185273, 6.545918143789988 ], [ -2.143075351231505, 0.8787843343951173, 2.4209119091227245 ], [ -2.4678570122694428, 4.5930276512226405, 6.427406999430601 ], [ -8.806415192525208, 3.6185496942631663, 2.534300798906619 ], [ -6.679623675288103, 3.7723308748886266, 4.939418827785275 ], [ -13.340430894842028, 1.0359346159479956, 5.05519885969154 ], [ -6.356758471196675, 1.7012620138996357, 0.9301895477811025 ], [ -13.01838518813547, 4.439286726891181, 1.0464993791565038 ], [ -5.779237590894479, 4.475752317011039, 7.349154003632864 ], [ -12.44058330411929, 1.7386351866282195, 7.465562014365601 ], [ -5.456910746210878, 0.9985643318532397, 3.3405507627898867 ], [ -12.117996387037923, 3.7358619887991362, 3.4562319312824665 ], [ -5.000173440404353, 2.0970517538684867, 6.273941770973807 ], [ -11.661328670160668, 4.834823932832428, 6.389707420885668 ], [ -4.67765263081001, 3.3767896186101893, 2.264695715945699 ], [ -11.338929580153206, 0.6401504045741453, 2.3810245430810113 ], [ -4.063785777851724, 4.4233115948690465, 5.2512904812383665 ], [ -10.724387181982586, 1.6887812334224352, 5.368552406552037 ], [ -3.7407151628325743, 1.0484146031350097, 1.2435431449721672 ], [ -10.40253291691325, 3.7883005632267004, 1.358369300429695 ], [ -2.5388780138966665, 1.691325544708418, 4.1681670865132965 ], [ -9.19961276352713, 4.429247723889251, 4.282714399268806 ], [ -2.215949936439443, 3.7823752464143023, 0.1577615113797363 ], [ -8.87763304269972, 1.045864515594922, 0.27526623060965116 ], [ -1.989832357434533, 1.0379249083445632, 6.710314239215955 ], [ -8.653383076446728, 3.77618534910913, 6.826653986270565 ], [ -1.6697080908646393, 4.435411787521139, 2.7016392714343413 ], [ -8.328578144436491, 1.699268173202071, 2.8173795498053957 ], [ -1.0863414742615785, 3.395438296179711, 5.666680981618767 ], [ -7.748519924104015, 0.6568585664390835, 5.7833509880634955 ], [ -0.7648582094516421, 2.0803536222540275, 1.6583378109744085 ], [ -7.4250766434959266, 4.816186655209111, 1.7737485396487322 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Ni", "Ni", "Ni", "Ni", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2020-06-05 03:34:08
[ 0.2857142857142857, 0.07142857142857142, 0.5, 0.14285714285714285 ]
[ [ 0.33366899, 0.00214811, -0.38853813 ], [ 0.00214426, -0.42636782, -0.00189752 ], [ -0.32898434, -0.00188385, 0.65801194 ] ]
-353.162611
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0.001, -0.001, -0.001, 0.001, -0.001, 0.001, 0.001, -0.001, -1.804, -1.804, 1.804, 1.804, 0.001, -0.001, -0.001, 0.001, 0, 0, 0, 0, -0.001, 0.001, 0.001, -0.001, 0.031, -0.031, -0.031, 0.031, -0.026, 0.026, 0.026, -0.026, 0.014, -0.014, -0.014, 0.014, 0.029, -0.029, -0.029, 0.029 ]
[ [ -0.00664288, 0.00237393, 0.00840281 ], [ -0.00548628, 0.00568961, 0.00738331 ], [ -0.0055383, -0.00599248, 0.00724125 ], [ -0.00636435, -0.00286621, 0.00864969 ], [ 0.00951779, -0.00051108, -0.00074106 ], [ 0.00891624, 0.00018229, 0.00128104 ], [ 0.00881781, -0.00056045, 0.00164574 ], [ 0.00954571, 0.00000508, -0.00069141 ], [ 0.00629854, 0.01573991, -0.00283811 ], [ 0.00345369, 0.02135408, -0.0053635 ], [ 0.00332209, -0.02171038, -0.00532948 ], [ 0.0064317, -0.01602679, -0.00297094 ], [ 0.01999508, -0.00951583, 0.00936782 ], [ 0.01876764, -0.00849532, 0.00847348 ], [ 0.01874737, 0.00795788, 0.00830655 ], [ 0.01995251, 0.00895201, 0.00977562 ], [ 0.02265985, -0.00259904, 0.03511694 ], [ 0.01834331, 0.00020913, 0.04493832 ], [ 0.018145, -0.00005401, 0.04448623 ], [ 0.02328567, 0.0021231, 0.03447168 ], [ -0.03816721, 0.01736902, -0.00463411 ], [ -0.04107979, 0.02322062, 0.00070829 ], [ -0.04123007, -0.02367137, 0.00109743 ], [ -0.03735484, -0.01781594, -0.00505308 ], [ -0.00408559, -0.02622098, -0.01281566 ], [ -0.01014026, 0.03595871, -0.00673988 ], [ -0.00526509, -0.00085386, 0.00474514 ], [ -0.00890304, 0.0028083, 0.00828993 ], [ 0.02558544, 0.02524454, -0.00952578 ], [ 0.03327679, 0.03035728, -0.01302164 ], [ 0.03359552, -0.03043333, -0.01324887 ], [ 0.02537099, -0.02587454, -0.00896979 ], [ 0.0113843, -0.00684344, -0.01880004 ], [ 0.01231057, -0.00606393, -0.02221143 ], [ 0.01254434, 0.00569009, -0.02210015 ], [ 0.01143039, 0.00601233, -0.01896435 ], [ -0.03741705, 0.01201687, -0.01864895 ], [ -0.03469715, 0.01956318, -0.02463233 ], [ -0.03447487, -0.01993913, -0.02460858 ], [ -0.03765761, -0.01245194, -0.01842694 ], [ -0.01512896, -0.01080319, 0.00275574 ], [ -0.0057958, -0.00939965, 0.00861041 ], [ -0.00545229, 0.00887479, 0.00853216 ], [ -0.0146653, 0.01025912, 0.00317508 ], [ 0.02379043, -0.00249029, -0.00668923 ], [ 0.01943749, -0.00088517, -0.00403593 ], [ 0.01917063, 0.00019361, -0.00333518 ], [ 0.02340157, 0.0019775, -0.00691453 ], [ 0.00423721, -0.01675874, -0.00448578 ], [ 0.00764424, -0.01205699, -0.01410458 ], [ 0.00783849, 0.01201449, -0.0131167 ], [ 0.00397806, 0.01627716, -0.00447736 ], [ -0.02632542, 0.00587199, 0.01303936 ], [ -0.02223954, 0.01061339, 0.01212665 ], [ -0.02206758, -0.01161501, 0.0125041 ], [ -0.02501718, -0.00640094, 0.01237061 ] ]
0
1.624825
pbe
true
4a2949a2ab5574c36bc6b21564180a85_9_Li16Si8Ni4O28
[ "Li", "Ni", "O", "Si" ]
66
A6B2C2D
Li2NiO6Si2
Li12 Ni6 O36 Si12
4
[ 1, 1, 1 ]
3
[ [ 10.07667359, 0.00000448, -0.00003292 ], [ 0.00000315, 7.10415341, -0.00000596 ], [ -0.00003188, -0.00000823, 9.77233249 ] ]
mp-766931
[ [ 0.0000219779596517, 5.674506250214747, 2.3741541984773407 ], [ 10.07651234349481, 5.502337595027169, 7.518464777257635 ], [ 2.272019825991501, 2.0961590349895753, 4.489936474877645 ], [ 2.274170773505871, 1.5487081798017381, 0.31324925247894037 ], [ 2.7643107025077063, 5.555566084974747, 5.199079154834682 ], [ 2.7665059412125843, 5.007967674116677, 9.3764272073331 ], [ 5.038628598338427, 1.6018582452019174, 2.63225933595158 ], [ 5.038776363946048, 1.429585021233484, 7.260268063089071 ], [ 7.310121292830181, 5.0079068226644425, 9.376110496266001 ], [ 7.3123606953892075, 5.55559531562852, 5.199392744649855 ], [ 7.802862992453306, 1.548573314731076, 0.3129853187415032 ], [ 7.805029192586988, 2.0963479786959183, 4.490212545858031 ], [ 0.000026509836750900003, 6.965689314104759, 5.175978172514497 ], [ -0.000011831008734699998, 3.6839894025384607, 9.440162443151129 ], [ 2.284692632155555, 0.16798031815660253, 7.38511673481974 ], [ 2.2887326774330075, 3.3929421449723565, 7.2351735029020645 ], [ 2.749216868572463, 3.711069175638916, 2.34901222959695 ], [ 2.7534639184032543, 6.93631235868261, 2.498895200292464 ], [ 5.03841454848242, 3.420100825701051, 4.553902660153716 ], [ 5.03838377542539, 0.13845128975297538, 0.2897088466360948 ], [ 7.323134120490679, 6.936218199986099, 2.4989922624143444 ], [ 7.327454359953548, 3.7111869377887103, 2.348941668049926 ], [ 7.7873586208232215, 3.393113242197596, 7.235175963193332 ], [ 7.791600895721265, 0.16784636671328831, 7.385123174965316 ], [ 10.075226325777564, 1.762297384652429, 2.4177409283922513 ], [ 0.0011723471602907, 6.977606790308996, 0.2296805043817706 ], [ 0.0009433341614505001, 3.6853964664545686, 4.529911889591099 ], [ 5.037205883100876, 0.126576823784071, 5.115885003871744 ], [ 5.037905433937627, 3.418748362616992, 9.415783586702133 ], [ 5.037249226424281, 5.3410100158025955, 7.30308998155718 ], [ 0.0002107235801463, 2.166861982153218, 0.2573925263959633 ], [ 0.0004003614708632, 4.951095013199955, 0.6682724047700463 ], [ 0.00016678413954130002, 1.3620997836741937, 4.566646964117706 ], [ 0.00040894553326530005, 5.691617275426937, 4.191758187081583 ], [ 1.3128705104585436, 0.30071807482055857, 1.90801572158084 ], [ 1.2288932721659285, 4.000592429747717, 8.358164434529277 ], [ 1.2515213913181538, 6.673588566296388, 6.237605350303225 ], [ 1.3462671227902543, 3.1533787932699684, 2.9453557922162488 ], [ 1.7760078363276322, 6.755045390265056, 8.837675010313431 ], [ 1.848428145254425, 3.8010985690443118, 5.729884177862151 ], [ 2.8179994812634765, 5.322868762469221, 2.5234320313997656 ], [ 2.2205002215125873, 1.7812829268167976, 7.409622255586841 ], [ 3.1901392485331286, 3.3031804142350256, 0.8437671288279889 ], [ 3.262589664162418, 0.3490693675671642, 3.951460225927957 ], [ 3.6916563628154146, 3.9501597358887874, 7.8317131597408185 ], [ 3.786926908705501, 0.43062491392906665, 1.3515211768291941 ], [ 3.8094886933930785, 3.1035971609967, 3.471868161833067 ], [ 3.725219360175432, 6.80395922187947, 6.79380754195722 ], [ 5.0380121454492475, 4.937260844779787, 5.1434815503324565 ], [ 5.038223800368901, 2.15313538907437, 5.554446819644138 ], [ 5.038178321599961, 1.412575365525459, 9.077855861464714 ], [ 5.0379897787391865, 5.742086684496531, 9.452636327964006 ], [ 6.350944246394124, 6.8034021445485635, 6.794190834843561 ], [ 6.267388496696355, 3.1036932361824783, 3.4719858041107043 ], [ 6.290000239142123, 0.43051697818457973, 1.3513157938328313 ], [ 6.384344577167325, 3.9508265925108867, 7.831345522252579 ], [ 6.813869012538101, 0.34914518486741386, 3.9514133458893674 ], [ 6.886576405061367, 3.3030929005062646, 0.8437630661359458 ], [ 7.856191900576136, 1.7812788255443495, 7.409590162797695 ], [ 7.258958820317581, 5.322881819313305, 2.5234727366719802 ], [ 8.228696520969429, 3.8010638955368408, 5.7300870225594425 ], [ 8.301414573742411, 6.755108108514499, 8.837487953319416 ], [ 8.730359815429813, 3.1540021973819186, 2.9457372200244913 ], [ 8.82512568212371, 6.673649619167249, 6.237595266158597 ], [ 8.847726511097818, 4.0005158953559885, 8.358058531604257 ], [ 8.76374071578819, 0.3002029974899245, 1.9078101036193431 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2019-10-22 20:32:18
[ 0.18181818181818182, 0.09090909090909091, 0.5454545454545454, 0.18181818181818182 ]
[ [ 0.50049983, 0.00016761, -0.0098619 ], [ 0.00016763, -0.76997437, -0.00494394 ], [ -0.00986244, -0.00494399, -0.17951356 ] ]
-432.208585
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0.007, 0.006, 0.006, 0.006, 0.006, 0.006, 0.006, 0.007, 0.006, 0.006, 0.006, 0.006, 1.789, 1.801, 1.808, 1.801, 1.808, 1.789, 0.046, 0.033, 0.045, 0.027, 0.051, 0.002, 0.002, 0.054, 0.024, 0.021, 0.002, 0.002, 0.021, 0.024, 0.054, 0.002, 0.002, 0.051, 0.046, 0.033, 0.027, 0.045, 0.051, 0.002, 0.002, 0.054, 0.023, 0.021, 0.002, 0.002, 0.021, 0.023, 0.054, 0.002, 0.002, 0.051 ]
[ [ -0.00099717, 0.01625082, 0.02211117 ], [ -0.00147276, -0.02209554, -0.0160232 ], [ 0.00707989, -0.00189073, -0.00061056 ], [ 0.00533728, -0.00980745, -0.00889895 ], [ -0.00604314, 0.01089073, -0.00945662 ], [ -0.0071517, 0.00119963, 0.00017153 ], [ 0.00025343, 0.02203778, -0.01603395 ], [ 0.0000125, -0.01701307, 0.02184595 ], [ 0.00687745, 0.00189185, -0.0005825 ], [ 0.00498769, 0.01151925, -0.00927272 ], [ -0.00506708, -0.0117413, -0.01011797 ], [ -0.00737281, -0.00110238, -0.0000869 ], [ -0.00152297, -0.04726353, -0.00956031 ], [ -0.00049974, 0.03096911, 0.02902832 ], [ 0.02858657, -0.0243634, -0.0093809 ], [ 0.01964718, 0.00218786, 0.01035936 ], [ -0.01836875, -0.00187149, 0.00951964 ], [ -0.02608763, 0.02220727, -0.00783588 ], [ -0.00219686, -0.02995068, 0.02805377 ], [ -0.00114005, 0.04715387, -0.00967203 ], [ 0.02627283, 0.02417894, -0.00835633 ], [ 0.01694713, -0.00175106, 0.01129102 ], [ -0.01487719, 0.0005096, 0.0092848 ], [ -0.02560028, -0.02513243, -0.00786609 ], [ 0.01578735, 0.00988401, -0.02392087 ], [ -0.00657469, -0.03124524, -0.0048274 ], [ -0.00442465, 0.02422422, -0.00246187 ], [ 0.00670825, 0.0333642, -0.00469351 ], [ 0.00127864, -0.02294345, 0.00012829 ], [ 0.00842605, -0.00110537, -0.02367585 ], [ -0.00140231, -0.01395742, 0.00330477 ], [ -0.00048246, -0.01291922, -0.02777744 ], [ -0.00127539, 0.00579531, 0.02134405 ], [ -0.00019174, 0.01715536, -0.01381387 ], [ -0.00855405, -0.00711433, 0.00179545 ], [ 0.0038085, 0.00899701, -0.00819794 ], [ -0.00422224, 0.01885537, 0.02110763 ], [ -0.00782431, -0.00506131, 0.00770659 ], [ 0.00161028, 0.02307398, 0.02400949 ], [ -0.00970478, -0.0042184, -0.01549974 ], [ 0.00857375, -0.03517139, -0.01253904 ], [ -0.01267697, 0.03609744, -0.0124801 ], [ 0.007337, 0.00292832, -0.01490579 ], [ -0.0032316, -0.02301019, 0.02310329 ], [ 0.01046475, 0.00604247, 0.00805512 ], [ 0.00291062, -0.0191989, 0.02036389 ], [ -0.00563097, -0.00948388, -0.00751773 ], [ 0.00990948, 0.00411767, 0.00282188 ], [ -0.00042592, 0.01300835, 0.00328328 ], [ -0.00017906, 0.01237931, -0.0278805 ], [ 0.0001809, -0.01746599, -0.01328765 ], [ -0.00054242, -0.00719696, 0.02113393 ], [ -0.00660738, 0.0075553, 0.00257502 ], [ 0.00443327, -0.00935745, -0.00675861 ], [ -0.00521174, -0.01942652, 0.01821486 ], [ -0.00513761, 0.00134801, 0.00943122 ], [ 0.00090624, -0.02329769, 0.0233371 ], [ -0.00710349, 0.0034472, -0.0142375 ], [ 0.00695986, 0.03770817, -0.01217891 ], [ -0.01096735, -0.03648418, -0.01255898 ], [ 0.00632759, -0.00314324, -0.01550745 ], [ -0.00298283, 0.02299582, 0.02311594 ], [ 0.00763936, -0.00581154, 0.00693898 ], [ 0.00333945, 0.01900228, 0.017567 ], [ -0.00693472, 0.00881217, -0.00506038 ], [ 0.00808353, -0.00619298, 0.00253271 ] ]
11.794
3.393235
pbe
true
01fa172f735261db7cdf863cebd6ad01_31_Li12Si12Ni6O36
[ "Li", "Ni", "O", "Si" ]
98
A30B12C5D2
Li2Ni5O30Si12
Li4 Ni10 O60 Si24
4
[ 1, 1, 1 ]
3
[ [ 10.12702965, -0.00000801, -0.0001347 ], [ -5.06352362, 8.77037372, 0.00023272 ], [ -0.00020203, 0.00027138, 14.46865559 ] ]
mp-772287
[ [ -0.00018872099140066945, 5.846912840888903, 0.0011227656107998 ], [ 5.062770066236263, 8.769900276195365, 10.848755008658248 ], [ -0.0014613841035139997, 0.0034663116820847005, 3.6190302922295055 ], [ 5.0632760938422585, 2.923605847531068, 7.23386501652296 ], [ -2.6976855412473832, 6.642587992351652, 8.80564370467372 ], [ -2.6976741224488054, 6.642232178725772, 5.663430205389895 ], [ -2.079953103730683, 7.713736994241768, 1.5642832504579856 ], [ -2.0803200198158707, 7.714225352781661, 12.904709454626238 ], [ -0.5768454799461823, 3.1117538105697453, 1.5641602799087293 ], [ -0.576977499079217, 3.112336449600425, 12.904543944882908 ], [ 0.6597699835898271, 3.1128657682386462, 5.6636519236758085 ], [ 0.6600158427193745, 3.113362169504347, 8.805802338850091 ], [ 2.0379304907176463, 7.785466644609011, 5.66320256168969 ], [ 2.0378380022553615, 7.785898325644392, 8.805610522213371 ], [ 2.365770974423246, 2.127408815338, 1.5709277339754644 ], [ 2.36567160372393, 2.1280682888172433, 12.897605387217679 ], [ 2.6568415412446678, 6.715568198239699, 12.904647292705326 ], [ 2.6571904794886887, 6.7149124167565555, 1.564402377873798 ], [ 2.9829156138028097, 1.0565079148768652, 8.79822574158889 ], [ 2.9831130218545034, 1.0561984090139984, 5.670059134976348 ], [ 4.486364789200666, 5.6584748636140985, 5.670123603522409 ], [ 4.486393715054887, 5.658653873366442, 8.798672466544387 ], [ 5.7234267976129365, 5.657416563829246, 1.5711482884933297 ], [ 5.723076331937052, 5.657409045443674, 12.897535546581349 ], [ 7.100969501520694, 0.9851185317752041, 1.5710538761412383 ], [ 7.10105616911194, 0.9855562840711407, 12.89740684609702 ], [ 7.720481244642521, 2.05553944146839, 5.670185696366009 ], [ 7.720944014624284, 2.055872104623267, 8.798567588229213 ], [ 7.686692370758939, 4.225538992563877, 10.851511368988847 ], [ 7.687188342558157, 4.225638695107471, 3.6169773948319213 ], [ -0.00010684688576509396, 5.846752391583624, 3.6602913344988326 ], [ -0.0004667657727623388, 5.847546427388206, 10.80799689593748 ], [ 2.622933672981331, 4.543078777590448, 3.617044229199959 ], [ 2.6235759644278662, 4.545007151704621, 10.8524987223254 ], [ 5.063321472114825, 2.9237523434703547, 3.57424979828142 ], [ 5.063008876618069, 2.9232066863088737, 10.893954370794477 ], [ -0.18470386627327792, 8.770270282403743, 3.617476551549764 ], [ 4.878167023865603, 0.0005774106115459001, 10.851123260530885 ], [ -3.50522796145672, 6.999490656309119, 12.494234252454515 ], [ -3.5049034426895753, 6.99931369018194, 1.9744561647478898 ], [ -2.361112703487341, 8.233161329765249, 9.00005835578984 ], [ -2.36122138431289, 8.232894089156327, 5.469325719812308 ], [ -2.523685291555681, 6.244161537125285, 7.234608300700798 ], [ -1.7995988891650223, 5.719548143788472, 4.70955373032146 ], [ -1.7997895617971198, 5.71979941573486, 9.759601406042133 ], [ -1.697583587172009, 7.313471118538289, 14.468798119962457 ], [ -0.8703045170481207, 4.4185033036961, 2.445626120990886 ], [ -0.8704255442813773, 4.419265036222332, 12.02331836570445 ], [ -0.8858335564335811, 2.608892379106774, 5.469274276371134 ], [ -0.8856105895436537, 2.60957331400261, 8.999795676257468 ], [ -0.8013234605209048, 7.314671485137141, 2.4455364278530305 ], [ -0.8017286523773484, 7.315718780971368, 12.023220434597038 ], [ -0.4210280261065518, 3.6433282093737147, 0.0001622663776974 ], [ 0.9184044396075984, 3.4626469371891444, 7.234640433070094 ], [ 0.7894779040750839, 7.470402801666161, 9.75942591674817 ], [ 0.7897655455821729, 7.469417885757714, 4.709247139884898 ], [ 0.7542818875035594, 2.234564569407093, 1.9747749833684871 ], [ 0.7540623889520484, 2.234901853673768, 12.494332570390048 ], [ 1.0102179683222334, 4.352396574022754, 9.759626361089463 ], [ 1.009798687876294, 4.351929028329941, 4.7097433427043605 ], [ 1.557922169380602, 1.7705388848489874, 5.259392839883737 ], [ 1.5577861050401496, 1.7705685871722334, 9.208994066548183 ], [ 1.606059350674612, 7.834132539946764, 7.234326242595111 ], [ 1.671736808186194, 5.8080240577932525, 12.02334647569889 ], [ 1.6723457082054065, 5.80680792843042, 2.4454625062417685 ], [ 2.702221782106068, 0.5368835452931381, 1.7652385654193545 ], [ 2.702060794132927, 0.5375060895951319, 12.70349532099498 ], [ 2.1187157523020104, 6.584349705512722, 0.00016744541138620001 ], [ 2.540094032383204, 2.5260696079752942, 0.0000246960003083 ], [ 2.750643077322374, 8.306348356672457, 1.974966367252488 ], [ 2.751231364063198, 8.306955149674572, 12.494306050658338 ], [ 3.2638352880381962, 3.0499801362819716, 2.5249221092508454 ], [ 3.2637010896564433, 3.0505973305923373, 11.943497481947395 ], [ 3.365377643208985, 1.45699615228259, 7.234115463077308 ], [ 3.247321133892892, 6.69915975708135, 5.469068109921651 ], [ 3.247063215145133, 6.699194234159104, 8.999896239513298 ], [ 4.192008028305954, 4.351529126865642, 4.789243310708513 ], [ 4.192143700639001, 4.35177907027204, 9.679630669892886 ], [ 4.177736514186167, 6.161293990145736, 1.7653359869275456 ], [ 4.177373799752685, 6.161601848832651, 12.703331001273297 ], [ 4.261805309664609, 1.455371441498007, 4.788994906594757 ], [ 4.261951170593749, 1.4558475577429877, 9.678583166060411 ], [ 4.642153957338448, 5.1270983465212305, 7.234412057925576 ], [ 5.9808156959578165, 5.307231460465877, 0.0000701471344877 ], [ 5.852992124267134, 1.3015198191281436, 2.5251754727830678 ], [ 5.853089287855136, 1.301497202244341, 11.94308223376384 ], [ 5.817826632595266, 6.5351601677762, 5.259981903958883 ], [ 5.817767285128417, 6.535625487504446, 9.209220697994374 ], [ 6.073706494992309, 4.418539738562897, 2.5252849888004185 ], [ 6.072916073237667, 4.418435121991551, 11.943328633522643 ], [ 6.6690754509264325, 0.9368907213090152, 14.468529850717118 ], [ 6.735534390486076, 2.9635549781932538, 4.789183886978881 ], [ 6.735892554613116, 2.96376159457607, 9.679506133436814 ], [ 7.182853547283453, 2.1865788842627554, 7.234442619467434 ], [ 7.814808287429946, 0.4642512165626904, 5.259358052878085 ], [ 7.815149664403126, 0.4644867554490245, 9.208765397088426 ], [ 8.310493869289004, 2.071636536585827, 1.7650628350185757 ], [ 8.310087655983663, 2.0725312243595573, 12.703250583500228 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Li", "Li", "Li", "Li", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2019-10-22 22:24:07
[ 0.04081632653061224, 0.10204081632653061, 0.6122448979591837, 0.24489795918367346 ]
[ [ -0.09635779, -0.01595825, 0.00725794 ], [ -0.01595844, -0.09847736, -0.00780359 ], [ 0.00725746, -0.00780414, -0.16934559 ] ]
-693.025551
[ 0, 0, 0, 0, 0.005, 0.005, 0.006, 0.006, 0.006, 0.006, 0.005, 0.005, 0.005, 0.005, 0.005, 0.005, 0.006, 0.006, 0.006, 0.006, 0.006, 0.006, 0.005, 0.005, 0.005, 0.005, 0.006, 0.006, 1.786, 1.786, 1.81, 1.81, 1.786, 1.786, 1.81, 1.81, 1.786, 1.786, 0.003, 0.003, 0.007, 0.007, 0.002, 0.059, 0.059, 0.002, 0.045, 0.045, 0.007, 0.007, 0.045, 0.045, 0.002, 0.002, 0.059, 0.059, 0.003, 0.003, 0.059, 0.059, 0.003, 0.003, 0.002, 0.045, 0.045, 0.007, 0.007, 0.002, 0.002, 0.003, 0.003, 0.059, 0.059, 0.002, 0.007, 0.007, 0.045, 0.045, 0.007, 0.007, 0.045, 0.045, 0.002, 0.002, 0.059, 0.059, 0.003, 0.003, 0.059, 0.059, 0.002, 0.045, 0.045, 0.002, 0.003, 0.003, 0.007, 0.007 ]
[ [ 0.00127585, 0.00069023, -0.00017243 ], [ -0.00078302, -0.00042942, -0.00169802 ], [ -0.00140809, 0.00269051, 0.00136329 ], [ -0.00002697, 0.00027174, 0.00028287 ], [ 0.00599727, -0.0128049, 0.01047298 ], [ 0.00594421, -0.0102497, -0.00946432 ], [ -0.01086162, 0.01263481, 0.01026989 ], [ -0.01080566, 0.01359962, -0.01159528 ], [ -0.00742609, -0.01709824, 0.01261899 ], [ -0.00781424, -0.01644863, -0.01246861 ], [ 0.00840715, 0.01038899, -0.01067888 ], [ 0.00839811, 0.01086945, 0.00899951 ], [ -0.01481798, 0.00200622, -0.00959937 ], [ -0.01336459, 0.0005329, 0.00636789 ], [ 0.00836781, 0.01130688, 0.01108704 ], [ 0.00508883, 0.00927871, -0.01017368 ], [ 0.01795324, 0.00191774, -0.00979368 ], [ 0.01521457, 0.00196736, 0.00999172 ], [ -0.0090642, -0.01495682, 0.00923186 ], [ -0.01116437, -0.01405972, -0.01204884 ], [ -0.00624188, 0.01457495, -0.00781224 ], [ -0.00710709, 0.01495328, 0.00780501 ], [ 0.00459445, -0.01068577, 0.00917464 ], [ 0.00564069, -0.01012511, -0.01006391 ], [ -0.01249609, -0.00126071, 0.01055156 ], [ -0.01315611, -0.00057151, -0.01190212 ], [ 0.01824837, -0.0003842, -0.0104683 ], [ 0.01572211, -0.00053952, 0.00853452 ], [ -0.0043074, 0.03283613, 0.00295913 ], [ -0.00919471, 0.02609994, 0.00143528 ], [ 0.00442253, 0.00131053, 0.01932904 ], [ 0.00403635, -0.00039586, -0.01199581 ], [ -0.01281965, -0.02020448, -0.00034318 ], [ -0.01404837, -0.02315609, -0.00229567 ], [ 0.0014403, -0.0031869, -0.01853647 ], [ 0.00279754, 0.00436799, 0.01686387 ], [ 0.02942425, 0.00288189, -0.00115938 ], [ 0.03072481, 0.00245136, 0.00279187 ], [ -0.00845971, -0.00927827, 0.0136843 ], [ -0.00881738, -0.00976144, -0.01140864 ], [ 0.01543449, 0.0146866, -0.02542033 ], [ 0.01572847, 0.0140399, 0.02348887 ], [ -0.00400046, -0.03720141, 0.00063588 ], [ -0.00094362, -0.00002173, -0.01550095 ], [ -0.00208762, -0.00009671, 0.01410952 ], [ 0.01785145, -0.02115096, -0.00108402 ], [ -0.00161222, -0.00273126, -0.00346106 ], [ -0.00344289, -0.00407369, 0.00190594 ], [ -0.02044705, 0.00745835, 0.02458079 ], [ -0.02270834, 0.00692797, -0.02351762 ], [ -0.00293194, 0.00231569, -0.0041574 ], [ -0.0031133, -0.0018536, 0.00315983 ], [ 0.01014338, 0.0268739, -0.00104918 ], [ 0.03292129, 0.01548115, -0.00230481 ], [ 0.00187876, -0.00439654, 0.01304452 ], [ 0.0019249, -0.00254811, -0.01314039 ], [ 0.01033372, -0.00305705, -0.01270693 ], [ 0.01128852, -0.00045915, 0.01196356 ], [ -0.00077633, -0.00163245, 0.01318105 ], [ -0.00189971, -0.00115793, -0.0141978 ], [ -0.00878843, 0.00734766, 0.01287658 ], [ -0.00708996, 0.00817711, -0.01039085 ], [ -0.02983266, 0.02292836, 0.00290112 ], [ 0.00214884, 0.00126719, 0.00244736 ], [ 0.00053098, 0.0010658, -0.00224756 ], [ 0.01725031, -0.01239347, -0.02497026 ], [ 0.01675296, -0.01537879, 0.02481853 ], [ -0.02496523, -0.00452422, 0.00111134 ], [ -0.00516294, 0.03757503, -0.00022724 ], [ -0.00258304, 0.00946618, -0.01239171 ], [ -0.00370457, 0.01022112, 0.01247791 ], [ -0.00006973, -0.00041622, 0.01531546 ], [ -0.00141738, -0.00244919, -0.01317659 ], [ 0.015025, 0.0211958, -0.00052685 ], [ 0.00224398, -0.02076898, 0.02422238 ], [ 0.00304912, -0.02037907, -0.0241533 ], [ 0.00367333, 0.00085645, 0.00229111 ], [ 0.00162844, 0.00176693, -0.00171579 ], [ -0.02057438, -0.00557487, -0.02460275 ], [ -0.02066789, -0.00680271, 0.02468423 ], [ -0.00217766, -0.00046239, 0.00310073 ], [ -0.00113052, -0.00046142, 0.00084587 ], [ 0.00973797, -0.02431907, 0.00190594 ], [ 0.03659054, -0.01592745, -0.0036276 ], [ 0.00133489, -0.00188491, 0.01398651 ], [ 0.00117434, -0.00108184, -0.01292253 ], [ 0.01223376, 0.00191529, 0.01020605 ], [ 0.00926477, 0.00331051, -0.01287529 ], [ -0.00460962, -0.00027757, 0.01332338 ], [ -0.00190424, 0.00203434, -0.01218108 ], [ -0.03145412, -0.02156288, -0.00022361 ], [ 0.00154283, -0.00261124, 0.00360444 ], [ -0.00270152, -0.00513561, -0.00425868 ], [ -0.02951959, 0.00319706, -0.00232562 ], [ -0.00336734, -0.00987483, 0.01206723 ], [ -0.00168405, -0.01197495, -0.01025329 ], [ 0.00301183, 0.02126204, -0.02336735 ], [ 0.0031562, 0.02123789, 0.02458583 ] ]
19.48
1.691008
pbe
true
5da158a9dbada01c2e31ca6b82f16c46_190_Li4Si24Ni10O60
[ "Li", "Ni", "O", "Si" ]
100
A15B6C3D
Li3NiO15Si6
Li12 Ni4 O60 Si24
4
[ 1, 1, 1 ]
3
[ [ 7.11274957, 8.52261338, 0.00000278 ], [ -7.11276017, 8.52262231, 0.0000051 ], [ -0.00000169, 0.00000472, 10.06961327 ] ]
mp-757292
[ [ -3.66441161160068, 8.522613753355035, 0.000012593305799 ], [ -3.5563851308059022, 12.610785698576036, 2.517412446250923 ], [ -3.5563759833692723, 4.434484829502287, 7.552214999262718 ], [ -3.448358686543183, 8.522627057130032, 5.034816172191313 ], [ -0.000012883533195316938, 9.650472204104418, 7.102045102548731 ], [ -0.00000809027677534552, 1.1278558890664399, 8.00237867760565 ], [ 5.935331953451947e-7, 7.394768205895581, 2.96757604745127 ], [ -0.000004199723223793556, 15.91738452093356, 2.0672424723943505 ], [ 3.4483463965431844, 8.522613352869968, 5.034804977808687 ], [ 3.556372840805903, 4.434454711423961, 7.552208703749077 ], [ 3.556363693369273, 12.610755580497711, 2.5174061507372816 ], [ 3.6643993216006803, 8.522626656644963, 10.0696085566942 ], [ -5.490429665919519, 7.322729554979028, 8.095396562339461 ], [ -5.490416758975689, 9.722506839237525, 1.974222048556398 ], [ -1.6223582561128755, 7.32274545257453, 7.009017880665432 ], [ -1.622337178512967, 9.722510119092917, 3.0606052082531114 ], [ -1.5463619072110615, 10.713283032044522, 0.0909479102200262 ], [ -1.5463653168418086, 2.190660728933793, 4.94388402482166 ], [ -1.5463736494964584, 14.854578554369427, 5.125738334434299 ], [ -1.5463599885172148, 6.331957785321268, 9.978678879663695 ], [ -1.5546295068516187, 13.844899365032772, 0.46029874621019023 ], [ -1.554645808849119, 5.3222900961682384, 4.5745007426809705 ], [ -1.5546496019102045, 3.2003348150741973, 9.609305389740873 ], [ -1.5546543536738557, 11.722943231710458, 5.495146692610193 ], [ 1.554637311910205, 13.844905594925802, 0.46031576025912635 ], [ 1.5546420636738563, 5.32229717828954, 4.574474457389806 ], [ 1.5546172168516188, 3.2003410449672267, 9.60932240378981 ], [ 1.5546335188491194, 11.722950313831761, 5.495120407319028 ], [ 1.5463476985172149, 10.71328262467873, 0.0909422703363029 ], [ 1.5463613594964583, 2.190661855630573, 4.9438828155657 ], [ 1.5463496172110611, 6.331957377955475, 9.978673239779972 ], [ 1.546353026841808, 14.854579681066205, 5.12573712517834 ], [ 1.6223248885129675, 7.3227302909070815, 7.009015941746888 ], [ 1.6223459661128756, 9.722494957425468, 3.0606032693345675 ], [ 5.490404468975689, 7.322733570762473, 8.095399101443602 ], [ 5.490417375919518, 9.72251085502097, 1.9742245876605369 ], [ -3.5562772089581847, 6.972035768707567, 2.5173468036648528 ], [ -3.5565498405116753, 10.073228026715055, 7.5526454639452005 ], [ 3.5562649189581856, 10.073204641292431, 7.552274346335147 ], [ 3.556537550511677, 6.972012383284943, 2.5169756860547996 ], [ -5.101698427158168, 10.805419448896064, 0.8153751400719959 ], [ -5.101699493704734, 6.23983051959776, 9.254238309231752 ], [ -5.098357486897525, 6.575103393301092, 6.694023883277906 ], [ -5.0983605613601295, 10.470151002762451, 3.3755931899992646 ], [ -4.808966608904253, 8.307368778083351, 1.6544519532512652 ], [ -4.809002437024841, 8.737878862720759, 8.41518858853139 ], [ -4.594123065253338, 9.88997994795756, 5.909003619874517 ], [ -4.594112749254044, 7.155273133235554, 4.160632924677568 ], [ -2.4827128659563305, 13.964893389862851, 1.757188915244899 ], [ -2.48273677004713, 5.442281456356703, 3.2776086712981765 ], [ -2.482735861707098, 3.080342211129157, 8.312424787468185 ], [ -2.4827459565820282, 11.60294238345733, 6.792033427724437 ], [ -2.5186345099812737, 7.155272164847585, 0.8741581245682903 ], [ -2.518653895410277, 9.889973878846606, 9.195479857633721 ], [ -2.303829921628707, 8.737879634485967, 6.689288990343932 ], [ -2.3037869910489186, 8.307363497472478, 3.380349223871292 ], [ -2.0144095272974307, 10.47014647254607, 1.6592135111958173 ], [ -2.014407882485996, 6.575090756364619, 8.410408900025296 ], [ -2.0110717179057116, 6.239815819238018, 5.8501901362334 ], [ -2.011053869837368, 10.805414928283668, 4.219435093385083 ], [ -1.5611280159041319, 13.238190687624096, 4.897058686146789 ], [ -1.5611229840639183, 4.715578537807577, 0.1377719631791731 ], [ -1.5611379163396235, 3.807041881347815, 5.172566598109379 ], [ -1.561143517202667, 12.329657440212726, 9.931855234305186 ], [ -0.000016543137018804103, 10.198658533753827, 9.923917528151751 ], [ -0.000012906400894065672, 5.790742969858428, 4.164010906831806 ], [ -0.0000018048887186333543, 9.397823607986545, 3.0553540944254727 ], [ -0.000014045238851757681, 16.170035407008054, 8.090177756280431 ], [ -0.00000430965512357917, 2.731886081919148, 9.198824586197329 ], [ -0.000008668858289361953, 1.6760460504700947, 5.180501724050625 ], [ 0.0000017552388526186052, 0.8752050029919451, 1.9794433937195701 ], [ 0.000004253137019276451, 6.846581876246172, 0.14570362184824961 ], [ -0.00001048511128133839, 7.64741680201345, 7.0142670555745275 ], [ -0.000007980344876614618, 14.31335432808085, 0.8707965638026706 ], [ -0.0000036211417098326337, 15.369194359529905, 4.889119425949374 ], [ 6.164008940939292e-7, 11.254497440141568, 5.905610243168193 ], [ 1.5611256263396238, 13.238198528652184, 4.89705455189062 ], [ 1.5611157259041315, 3.8070497223759037, 5.17256246385321 ], [ 1.5611312272026667, 4.715582969787273, 0.1377659156948148 ], [ 1.5611106940639188, 12.329661872192423, 9.931849186820827 ], [ 2.0110415798373684, 6.23982548171633, 5.850186056614917 ], [ 2.0110594279057112, 10.805424590761982, 4.2194310137666005 ], [ 2.0143972372974313, 6.5750939374539294, 8.410407638804182 ], [ 2.014395592485996, 10.470149653635378, 1.6592122499747046 ], [ 2.3038176316287076, 8.30736077551403, 3.3803321596560685 ], [ 2.3037747010489182, 8.73787691252752, 6.689271926128707 ], [ 2.5186416054102776, 7.155266531153393, 0.8741412923662784 ], [ 2.5186222199812747, 9.889968245152414, 9.195463025431708 ], [ 2.4827336665820283, 5.442298026542667, 3.2775877222755625 ], [ 2.48270057595633, 3.080347020137148, 8.3124322347551 ], [ 2.4827235717070986, 13.964898198870841, 1.7571963625318137 ], [ 2.48272448004713, 11.602958953643295, 6.792012478701823 ], [ 4.5941107752533386, 7.155260462042438, 4.1606175301254815 ], [ 4.594100459254045, 9.889967276764445, 5.908988225322432 ], [ 4.808990147024842, 8.307361547279239, 1.6544325614686093 ], [ 4.808954318904255, 8.737871631916647, 8.415169196748733 ], [ 5.098345196897524, 10.470137016698908, 3.3755972667220933 ], [ 5.098348271360131, 6.575089407237547, 6.694027960000734 ], [ 5.101686137158169, 6.239820961103934, 9.254246009928004 ], [ 5.101687203704734, 10.80540989040224, 0.8153828407682476 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Ni", "Ni", "Ni", "Ni", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2019-10-23 09:44:21
[ 0.12, 0.04, 0.6, 0.24 ]
[ [ 1.4504671, 0.00097351, -0.00081414 ], [ 0.00097353, 1.40470831, -0.00084283 ], [ -0.00081404, -0.00084283, 0.85676059 ] ]
-704.248813
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0.005, 0.005, 0.005, 0.005, 0.006, 0.006, 0.006, 0.006, 0.004, 0.004, 0.004, 0.004, 0.004, 0.004, 0.004, 0.004, 0.006, 0.006, 0.006, 0.006, 0.005, 0.005, 0.005, 0.005, 2.238, 2.238, 2.238, 2.238, 0.004, 0.004, 0.006, 0.006, 0.083, 0.083, 0.112, 0.112, 0.091, 0.091, 0.091, 0.091, 0.112, 0.112, 0.083, 0.083, 0.006, 0.006, 0.004, 0.004, 0.007, 0.007, 0.007, 0.007, 0.006, 0.003, 0.006, 0.006, 0.003, 0.006, 0.006, 0.006, 0.006, 0.003, 0.006, 0.003, 0.007, 0.007, 0.007, 0.007, 0.004, 0.004, 0.006, 0.006, 0.083, 0.083, 0.112, 0.112, 0.091, 0.091, 0.091, 0.091, 0.112, 0.112, 0.083, 0.083, 0.006, 0.006, 0.004, 0.004 ]
[ [ -0.00639327, -0.0002505, 0.00037508 ], [ -0.00016036, 0.00480374, 0.00045954 ], [ 0.00006687, -0.00459215, -0.00004032 ], [ 0.0062815, 0.00024194, 0.00037533 ], [ -0.00010453, 0.03492714, 0.0341723 ], [ -0.00026502, 0.03508229, -0.03455971 ], [ 0.00010453, -0.03492714, -0.0341723 ], [ 0.00026502, -0.03508229, 0.03455971 ], [ -0.0062815, -0.00024194, -0.00037533 ], [ 0.00016036, -0.00480374, -0.00045954 ], [ -0.00006687, 0.00459215, 0.00004032 ], [ 0.00639327, 0.0002505, -0.00037508 ], [ 0.00712474, 0.01372285, -0.00972331 ], [ 0.00743563, -0.01402232, 0.00978141 ], [ -0.00756299, 0.01413108, 0.00920888 ], [ -0.00718923, -0.01383418, -0.00927544 ], [ -0.00081528, -0.00920264, -0.00917469 ], [ -0.00156285, -0.00942545, 0.01008909 ], [ -0.00183826, 0.0095946, -0.01047698 ], [ -0.00115612, 0.00920095, 0.00956565 ], [ 0.00589479, 0.01457583, 0.00831036 ], [ 0.0055348, 0.01477968, -0.00880212 ], [ 0.00528331, -0.0145722, -0.00897979 ], [ 0.00495975, -0.01479466, 0.00936933 ], [ -0.00528331, 0.0145722, 0.00897979 ], [ -0.00495975, 0.01479466, -0.00936933 ], [ -0.00589479, -0.01457583, -0.00831036 ], [ -0.0055348, -0.01477968, 0.00880212 ], [ 0.00115612, -0.00920095, -0.00956565 ], [ 0.00183826, -0.0095946, 0.01047698 ], [ 0.00081528, 0.00920264, 0.00917469 ], [ 0.00156285, 0.00942545, -0.01008909 ], [ 0.00718923, 0.01383418, 0.00927544 ], [ 0.00756299, -0.01413108, -0.00920888 ], [ -0.00743563, 0.01402232, -0.00978141 ], [ -0.00712474, -0.01372285, 0.00972331 ], [ -0.00155543, 0.00305154, 0.00157884 ], [ 0.00119903, -0.00370219, -0.00738511 ], [ 0.00155543, -0.00305154, -0.00157884 ], [ -0.00119903, 0.00370219, 0.00738511 ], [ 0.0087402, 0.01868298, 0.01310805 ], [ 0.00872682, -0.01845404, -0.0134177 ], [ -0.01197074, -0.01039521, 0.00659639 ], [ -0.01236472, 0.01025018, -0.00644866 ], [ 0.03115143, -0.01283827, 0.00436261 ], [ 0.03043883, 0.0127205, -0.00385954 ], [ 0.01958442, -0.01284691, 0.01198359 ], [ 0.01993968, 0.01322693, -0.01136129 ], [ -0.012725, 0.00993615, -0.00636419 ], [ -0.01270249, 0.01064252, 0.00595087 ], [ -0.01302705, -0.01012586, 0.005988 ], [ -0.01325604, -0.01028549, -0.00544735 ], [ -0.01920282, 0.01316616, 0.01084909 ], [ -0.01945094, -0.01352689, -0.00990792 ], [ -0.03159883, 0.01278631, 0.00537869 ], [ -0.03090958, -0.01298947, -0.00483959 ], [ 0.01205773, 0.01034157, 0.00655539 ], [ 0.01209531, -0.01044474, -0.00633781 ], [ -0.00857979, -0.01871705, 0.01339487 ], [ -0.00849749, 0.01873298, -0.01341803 ], [ -0.00492324, 0.0011834, -0.02024193 ], [ -0.00485982, 0.00129122, 0.02030121 ], [ -0.00518781, -0.00149072, 0.02021064 ], [ -0.00510718, -0.00140355, -0.02037632 ], [ 0.00008832, -0.00489789, -0.0055955 ], [ 0.00017567, 0.01530807, -0.01574082 ], [ -0.00015817, -0.00511031, 0.0103767 ], [ 0.00021186, 0.00536063, 0.01050166 ], [ -0.00022704, -0.01533114, -0.01576162 ], [ 0.00010683, -0.00477847, 0.00554219 ], [ -0.00021186, -0.00536063, -0.01050166 ], [ -0.00008832, 0.00489789, 0.0055955 ], [ 0.00015817, 0.00511031, -0.0103767 ], [ 0.00022704, 0.01533114, 0.01576162 ], [ -0.00010683, 0.00477847, -0.00554219 ], [ -0.00017567, -0.01530807, 0.01574082 ], [ 0.00518781, 0.00149072, -0.02021064 ], [ 0.00492324, -0.0011834, 0.02024193 ], [ 0.00510718, 0.00140355, 0.02037632 ], [ 0.00485982, -0.00129122, -0.02030121 ], [ 0.00849749, -0.01873298, 0.01341803 ], [ 0.00857979, 0.01871705, -0.01339487 ], [ -0.01205773, -0.01034157, -0.00655539 ], [ -0.01209531, 0.01044474, 0.00633781 ], [ 0.03159883, -0.01278631, -0.00537869 ], [ 0.03090958, 0.01298947, 0.00483959 ], [ 0.01945094, 0.01352689, 0.00990792 ], [ 0.01920282, -0.01316616, -0.01084909 ], [ 0.01325604, 0.01028549, 0.00544735 ], [ 0.012725, -0.00993615, 0.00636419 ], [ 0.01302705, 0.01012586, -0.005988 ], [ 0.01270249, -0.01064252, -0.00595087 ], [ -0.01958442, 0.01284691, -0.01198359 ], [ -0.01993968, -0.01322693, 0.01136129 ], [ -0.03043883, -0.0127205, 0.00385954 ], [ -0.03115143, 0.01283827, -0.00436261 ], [ 0.01197074, 0.01039521, -0.00659639 ], [ 0.01236472, -0.01025018, 0.00644866 ], [ -0.0087402, -0.01868298, -0.01310805 ], [ -0.00872682, 0.01845404, 0.0134177 ] ]
11.556
2.033393
pbe
true
860e67f3f6fe0748f77e21a75c3a6cc6_64_Li12Si24Ni4O60
[ "Li", "Ni", "O", "Sn" ]
22
A6B2C2D
Li2Ni2O6Sn
Li4 Ni4 O12 Sn2
4
[ 1, 1, 1 ]
3
[ [ 5.14597322, 0.11115811, -0.00033542 ], [ -2.48993319, 4.50437746, 0.0001499 ], [ -0.00065975, -0.00002584, 10.11239298 ] ]
mp-774781
[ [ -0.8791172802738845, 2.8887570491675456, 7.584588715327866 ], [ -0.28265744513395435, 3.9230423384463964, 2.5285984458830297 ], [ 2.9395758640107497, 0.6916844315227278, 7.584287862140949 ], [ 3.534294142643007, 1.726661179778521, 2.528096063114633 ], [ 0.08238325663260347, 3.0253186288763416, 0.00046573470643479996 ], [ 3.898492794493581, 0.8286969286527524, 5.055960661770241 ], [ -1.2446399578990353, 3.786115183671704, 5.054254353693368 ], [ 2.5737189976652863, 1.590907514183729, 10.111549540862748 ], [ -2.489125947038654, 4.504384594473576, 0.0013064017912668 ], [ 1.327392074068424, 2.3074637232824444, 5.056426841156876 ], [ 0.39112451072090426, 0.6812040146380693, 6.043739371718053 ], [ 0.9366346639644223, 1.6266180385541442, 0.9890122615951673 ], [ 1.7200822188351106, 2.9901622511681523, 9.12429523513433 ], [ 2.262350082128925, 3.933433417727302, 4.066340263911301 ], [ -1.4878059972291193, 3.045160875929622, 1.1075732078954512 ], [ 4.144175505619608, 1.5708075311401606, 9.005812077965572 ], [ -0.4378617257604993, 2.439763778977889, 3.949092029675092 ], [ 0.3249868918027677, 3.767338442859346, 6.162355778379584 ], [ -0.7248224713048278, 4.372582749890952, 9.006218213088339 ], [ 2.328505528235535, 0.8483879080189684, 3.9489049806224124 ], [ 3.0926825797753184, 2.175257767643169, 6.162376858903582 ], [ 3.3811915158516324, 0.24348136865577258, 1.1070934543220121 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]
[ "Li", "Li", "Li", "Li", "Ni", "Ni", "Ni", "Ni", "Sn", "Sn", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2020-06-04 06:00:36
[ 0.18181818181818182, 0.18181818181818182, 0.5454545454545454, 0.09090909090909091 ]
[ [ 2.33888112, 0.08658254, 0.02889853 ], [ 0.08635564, 2.41455544, 0.04138001 ], [ 0.02889762, 0.04134092, 1.4008172 ] ]
-115.551441
[ 0, 0, 0, 0, -1.149, -1.149, 1.149, 1.149, 0, 0, 0, 0, 0, 0, 0.108, -0.108, -0.108, -0.108, 0.108, 0.108, 0.108, -0.108 ]
[ [ -0.00974584, -0.01355729, -0.00170882 ], [ 0.01064634, 0.01544516, -0.00272192 ], [ -0.00841205, -0.01603802, -0.00051 ], [ 0.00713311, 0.01533556, -0.00210306 ], [ -0.02004994, 0.00743808, 0.00464239 ], [ -0.00963666, -0.01318732, -0.01861337 ], [ 0.01256741, 0.01766522, 0.02652203 ], [ 0.02563856, -0.01912851, 0.01662149 ], [ -0.00846973, 0.01064282, -0.00053422 ], [ -0.00733894, 0.0039801, -0.00521555 ], [ 0.00562447, -0.00502969, 0.01269752 ], [ -0.00133648, -0.00130808, 0.00838774 ], [ -0.00068808, 0.00216655, -0.02018971 ], [ -0.00500804, 0.00108293, -0.0066558 ], [ 0.00356705, 0.00040354, -0.00136369 ], [ 0.00241008, -0.003475, -0.00285134 ], [ 0.00414432, -0.00457869, -0.00577347 ], [ 0.00228538, -0.00771638, -0.00140806 ], [ -0.00333421, -0.00277611, -0.00369027 ], [ 0.00299527, 0.00228157, 0.00113362 ], [ -0.00356822, 0.00382282, 0.0090239 ], [ 0.0005762, 0.00653077, -0.0056894 ] ]
0
2.833468
pbe
true
0c9db1b208a985a486c96758112736fd_64_Li4Ni4Sn2O12
[ "Ge", "Mn", "Pd" ]
4
A2BC
GeMnPd2
Mn1 Ge1 Pd2
3
[ 1, 1, 1 ]
3
[ [ 3.28432431, 0, 0 ], [ 0, 3.28432431, 0 ], [ 0, 0, 5.70551804 ] ]
agm001114237
[ [ 1.642162155, 1.642162155, 0 ], [ 1.642162155, 1.642162155, 2.85275902 ], [ 0, 0, 4.285167607968049 ], [ 0, 0, 1.4203504320319518 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}]
[ "Ge", "Mn", "Pd", "Pd" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
[ [ 8.90915, 0, 0 ], [ 0, 8.90915, 0 ], [ 0, 0, 8.922924 ] ]
-25.24734
[ -0.033, 3.871, 0.13, 0.13 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.00378992 ], [ 0, 0, 0.00378992 ] ]
4.229164
2.229041
pbe
true
14761784ec465433a1f7980f9119e393_123_Mn1Ge1Pd2
[ "Ge", "Mn", "Ta" ]
5
A3BC
GeMnTa3
Ta3 Mn1 Ge1
3
[ 1, 1, 1 ]
3
[ [ 4.60995572, 0, 0 ], [ 0, 4.60995572, 0 ], [ 0, 0, 4.60995572 ] ]
agm002528285
[ [ 2.30497786, 2.30497786, 2.30497786 ], [ 0, 0, 0 ], [ 0, 2.30497786, 0 ], [ 0, 0, 2.30497786 ], [ 2.30497786, 0, 0 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}]
[ "Ge", "Mn", "Ta", "Ta", "Ta" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.6 ]
[ [ -23.336367, 0, 0 ], [ 0, -23.336367, 0 ], [ 0, 0, -23.336367 ] ]
-45.648364
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000003
3.088532
pbe
true
f0ba74763cc4c5f922b10d2564e64265_221_Ta3Mn1Ge1
[ "Bi", "Cs", "K" ]
8
A5B2C
Bi2Cs5K
Cs5 K1 Bi2
3
[ 1, 1, 1 ]
3
[ [ 6.42233098, -8.7e-7, 2.03248388 ], [ 2.8895533, 5.73557461, 2.03248388 ], [ -0.52871889, -0.32565974, 12.83368595 ] ]
agm005875773
[ [ 4.391582695, 2.704957, 8.449326854999999 ], [ 3.1735543422804273, 1.9547230944822078, 12.298115340686408 ], [ 5.609611047719573, 3.4551909055177923, 4.6005383693135915 ], [ 1.7926410175590521, 1.1041615820341752, 5.498577305411913 ], [ 6.990524372440948, 4.305752417965825, 11.400076404588086 ], [ 0, 0, 0 ], [ 0.526485799121058, 0.32428435471050865, 9.49941665644502 ], [ 8.25667959087894, 5.08562964528949, 7.3992370535549785 ] ]
[{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]
[ "Cs", "Cs", "Cs", "Cs", "Cs", "K", "Bi", "Bi" ]
2023-11-16 06:57:59
[ 0.25, 0.625, 0.125 ]
[ [ 0.28522536, 0.00164392, -0.00843381 ], [ 0.00164392, 0.28356895, -0.00519473 ], [ -0.00843381, -0.00519473, 0.30920568 ] ]
-15.575043
[ 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ -0.00033532, -0.00020654, 0.00105956 ], [ 0.00033532, 0.00020654, -0.00105956 ], [ -0.00041877, -0.00025793, 0.00132323 ], [ 0.00041877, 0.00025793, -0.00132323 ], [ 0, 0, 0 ], [ 0.00007087, 0.00004365, -0.00022393 ], [ -0.00007087, -0.00004365, 0.00022393 ] ]
-0
7.772074
pbe
true
1532b930132e20590aa1b3f4aaf0da73_166_Cs5K1Bi2
[ "Ge", "Sc", "Si" ]
5
A3BC
GeScSi3
Sc1 Si3 Ge1
3
[ 1, 1, 1 ]
3
[ [ 4.74041046, 0, 0 ], [ 0, 4.74041046, 0 ], [ 0, 0, 4.74041046 ] ]
agm002602877
[ [ 2.37020523, 2.37020523, 2.37020523 ], [ 0, 0, 0 ], [ 0, 2.37020523, 0 ], [ 0, 0, 2.37020523 ], [ 2.37020523, 0, 0 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Sc", "Ge", "Si", "Si", "Si" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.6 ]
[ [ 2.6404102, 0, 0 ], [ 0, 2.6404102, 0 ], [ 0, 0, 2.6404102 ] ]
-23.475813
[ 0, 0, 0, 0, 0.001 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000001
4.721688
pbe
true
2de48c3052c6770deed825238df56a4a_221_Sc1Si3Ge1
[ "Ge", "Np", "Pd" ]
13
A8B4C
Ge8Np4Pd
Np4 Ge8 Pd1
3
[ 1, 1, 1 ]
3
[ [ 4.01810866, 0, 8.6e-7 ], [ 0, 4.2349363, 2e-8 ], [ 0.0000015, -9.7e-7, 15.65475311 ] ]
agm006080847
[ [ 1.3018557e-7, 4.234936215813332, 1.3586819912230819 ], [ 4.018109576430775, 2.1174675573747654, 9.564332553353974 ], [ 2.0090549418932153, 2.1174677543090543, 6.386025247006098 ], [ 2.00905567912595, -8.72434781e-7, 14.080156204362803 ], [ 4.018109365776565, 4.234935843597822, 7.365839463932578 ], [ 4.018110058976755, 2.117467245328365, 14.600424674102639 ], [ 2.00905439954564, 2.117468105027153, 0.7258136560512936 ], [ 2.009055195487535, -5.596819392999999e-7, 9.032662883471655 ], [ 3.37616475e-7, 2.1174679316746796, 3.523535051328991 ], [ 4.01810978880121, -7.299581158e-7, 11.780737028546175 ], [ 2.009054662592885, 4.234936084923268, 3.471106783878415 ], [ 2.00905546759163, 2.117467414357413, 11.872477845101645 ], [ 4.70478795e-7, 4.234935995757046, 4.910152939476868 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Np", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}]
[ "Np", "Np", "Np", "Np", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Pd" ]
2023-11-16 06:57:59
[ 0.6153846153846154, 0.3076923076923077, 0.07692307692307693 ]
[ [ 3.1846602, 0, 9.7e-7 ], [ 0, 3.0867856, -1.7e-7 ], [ 9.7e-7, -1.7e-7, 2.9684243 ] ]
-96.177236
[ 3.477, 3.527, 3.819, 3.506, -0.051, -0.049, -0.055, -0.04, -0.044, -0.018, -0.04, -0.028, -0.051 ]
[ [ 0, 0, 0.00040362 ], [ 0, 0, -0.00786886 ], [ 0, 0, -0.00132126 ], [ 0, 0, -0.00484897 ], [ 0, 0, 0.0043634 ], [ 0, 0, 0.00878342 ], [ 0, 0, 0.00576461 ], [ 0, 0, -0.00223585 ], [ 0, 0, 0.00765028 ], [ 0, 0, -0.01302431 ], [ 0, 0, 0.00973796 ], [ 0, 0, -0.00570493 ], [ 0, 0, -0.0016991 ] ]
14.752609
32.028816
pbe
true
6da9ca79b4059e0c3181030f88074b17_25_Np4Ge8Pd1
[ "Li", "Ni", "O", "Ti" ]
28
A16B5C4D3
Li4Ni3O16Ti5
Li4 Ni3 O16 Ti5
4
[ 1, 1, 1 ]
3
[ [ 5.90957343, 0.04206023, -0.0543468 ], [ -2.91845342, 5.04072743, -0.01162891 ], [ -0.08883886, -0.07263129, 9.55726145 ] ]
mp-771000
[ [ -0.10624358482325269, 3.2733536987501153, 8.540343478630396 ], [ 2.822533205613199, 4.949744382316048, 9.414879501638028 ], [ -0.0420716714775754, -0.0288946260743569, 4.7245563071851 ], [ 2.973979157699799, 1.7135054017381925, 3.7974478651703536 ], [ -1.3426995462961824, 4.242044917810871, 2.090961735643613 ], [ -0.02625395079662406, 3.338840456045671, 4.76259703453956 ], [ 0.09454166986350637, 1.7535556484085788, 2.097112969363411 ], [ 1.467333847251505, 0.8415858005554042, 6.954854738574906 ], [ 2.9406449051721752, 1.653817306937071, 9.483724214772234 ], [ 1.4702833838506837, 4.200292934746681, 1.950060346365973 ], [ 2.904506960123524, 3.3127003103624237, 6.737443375501428 ], [ 4.33027541737353, 0.819489500068799, 6.749466912759232 ], [ -1.4350145243670327, 4.18910150269235, 5.641793898232004 ], [ -1.3022349244330462, 2.60430770160868, 3.213348968933916 ], [ -0.08577239024779187, 3.3041606702139563, 0.9548541141284089 ], [ 0.0203836718933755, 0.006547520329527695, 2.909828057912402 ], [ 2.867653768152575, 5.000043763603162, 7.596274692508285 ], [ 0.037791147329709694, 1.7050749339661173, 5.645472691323101 ], [ -0.054590669124689066, 4.873049230099061, 3.245338310456247 ], [ 1.2867097588438337, 2.559547565435538, 3.2523952933991698 ], [ 1.4793856645457464, 0.8473154487728899, 0.9152446584039752 ], [ 1.484957312531593, 4.227873612651445, 5.630845811585924 ], [ 1.503927752212432, 2.346315606508019, 8.01739591233184 ], [ 2.762088250874649, 0.0917863845211178, 8.035808823495808 ], [ 2.9317339981971546, 1.674227627554377, 5.813770525470876 ], [ 3.017777328552383, 3.353859911057587, 0.8077481263242045 ], [ 4.154371416787945, 2.343013631739567, 7.932671384771969 ], [ 4.429950439173848, 0.9105504873960413, 0.8152973872933882 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]
[ "Li", "Li", "Li", "Li", "Ti", "Ti", "Ti", "Ti", "Ti", "Ni", "Ni", "Ni", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2014-02-18 05:24:43
[ 0.14285714285714285, 0.10714285714285714, 0.5714285714285714, 0.17857142857142858 ]
[]
-198.217898
[ 0, -0.002, 0, -0.001, 0.007, 0.038, 0.007, 0.026, 0.042, 1.735, 1.193, 1.158, 0.027, -0.003, 0.034, 0.023, -0.098, 0.034, 0.028, 0.028, -0.001, -0.061, 0.03, 0.042, -0.149, 0.013, -0.124, 0.012 ]
[]
4.038
2.622331
pbe
true
b7648b456e3a7b3afa6b484dfcdd729f_1_Li4Ti5Ni3O16
[ "Li", "Ni", "O", "Ti" ]
59
A32B12C11D4
Li11Ni4O32Ti12
Li11 Ti12 Ni4 O32
4
[ 1, 1, 1 ]
3
[ [ 8.42282974, 0.00023147, 0.00023187 ], [ -0.01408273, 8.42281797, 0.00023187 ], [ -0.01408273, -0.01410668, 8.42280616 ] ]
agm003282433
[ [ 1.04355901701493, 1.0453340059908167, 1.047115043997382 ], [ 2.0952361664565142, 6.302997971502226, 4.2116349500000005 ], [ 2.0719479257038222, 4.200859385946421, 6.33340716268515 ], [ 4.237030177728504, -0.0068821064661765, 4.17891784092144 ], [ 4.197332139999999, 2.1023723717528777, 6.310158499323949 ], [ 4.197332139999999, 6.329858662620024, 2.08986273731485 ], [ 4.171716832271494, 4.244125941339685, 0.00023187 ], [ 6.322716354296176, 2.082696091433555, 4.2116349500000005 ], [ 6.299428113543485, 4.208043796744898, 2.113111400676052 ], [ 7.35110526298507, 7.363608754009183, 7.376154856002619 ], [ -0.014082729999999998, 4.171698925126491, 4.24412018907856 ], [ 2.027837640304208, -0.010636528962925499, 6.384355947993534 ], [ 2.025411840555252, 2.0474326090645643, 4.178472588684713 ], [ 2.0439875594787003, 4.1750126628945505, 2.0359986991036574 ], [ 4.223131306726807, 6.357862915429735, 6.387271200896343 ], [ 4.197332139999999, 8.413401667530431, 0.009863629432842 ], [ 4.171532973273193, 2.0325040988298677, 2.054542849369436 ], [ 6.350676720521299, 6.380054328084216, 4.244797311315288 ], [ 6.369252439444748, 4.233961665697068, 6.368727050630564 ], [ 6.380909369695791, 2.0386846370978953, 0.00023187 ], [ 8.406256351291393, 0.002693968227700001, 4.2116349500000005 ], [ -0.01408273, 6.380894651865031, 2.0386820820064666 ], [ -0.011592071291394002, 4.197318504241871, 8.413406270567158 ], [ 2.0570278388061634, 6.355224169677675, 0.00023187 ], [ 4.197332139999999, 4.20447138, 4.2116349500000005 ], [ 6.351719171193835, -0.0032882884552075, 2.0678226729864946 ], [ -0.01408273, 2.057006878777533, 6.355215357013506 ], [ 2.10748680128786, 1.9787652610138404, 6.136783905906202 ], [ 2.0283215045249103, 0.051721947420714204, 4.338994914092901 ], [ 1.9751808273158142, 6.133181621498245, 2.121290449623829 ], [ 2.0042682292966068, 4.291059399591415, 0.0638859687214838 ], [ 2.264848242063501, 6.4233417329225055, 6.301979450376171 ], [ 2.196826511031177, 8.398313855110567, 8.28940234647833 ], [ 2.179316296030529, 2.1830230939570034, 2.186742524375668 ], [ 2.086674719995767, 4.060275127379845, 4.109373227575961 ], [ 4.107017235715638, 6.397384973100068, 8.359383931278517 ], [ 4.059217004803648, 8.3532999569954, 6.387479892790968 ], [ 4.098903148613428, 2.093643636405471, 4.067264820090335 ], [ 4.056723057827037, 4.105803286838162, 2.1005644970425488 ], [ 4.337941222172962, 6.315370806745309, 4.313896672424039 ], [ 4.295761131386571, 4.345247941690994, 6.322705402957451 ], [ 4.33544727519635, 2.0356923312031108, 0.059108344047395504 ], [ 4.287647044284361, 0.0604615061305671, 2.011663631014899 ], [ 6.3079895600042315, 4.30648748094022, 4.356005079909665 ], [ 6.215347983969469, 6.225919666042997, 6.236527375624332 ], [ 6.197837768968823, 0.1338492613409712, 0.0108567824993934 ], [ 6.129816037936498, 2.1179071920538655, 1.9892093241229072 ], [ 6.3903960507033934, 8.352361752579421, 4.1321079608265805 ], [ 6.419483452684186, 6.298096182010459, 2.2864859940937983 ], [ 6.36634277547509, 4.070042183013184, 8.364161555952604 ], [ 6.287177478712139, 2.275536290501085, 6.434060575877093 ], [ 8.394568321849352, 8.285626279704319, 2.2252041097656714 ], [ 8.346389445167183, 6.380536283870576, 4.084274985907099 ], [ 8.341489514764813, 4.121199155238888, 6.411606268985102 ], [ 8.271348143285374, 2.2108864708264693, 8.412413117500607 ], [ 0.12331613671462607, 0.00030553094769670197, 6.198065790234329 ], [ 0.05317476523518619, 2.004361493359644, 4.29116193917342 ], [ 0.048274834832817096, 4.335535577497015, 2.035790007209032 ], [ 0.00009595815064779992, 6.197846882069977, 0.13386755352167148 ] ]
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]
[ "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Ti", "Ti", "Ti", "Ti", "Ti", "Ti", "Ti", "Ti", "Ti", "Ti", "Ti", "Ti", "Ni", "Ni", "Ni", "Ni", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.1864406779661017, 0.06779661016949153, 0.5423728813559322, 0.2033898305084746 ]
[ [ 0.98484886, -0.00486501, -0.0048733 ], [ -0.00486501, 0.98483235, -0.00488159 ], [ -0.0048733, -0.00488159, 0.9848157 ] ]
-432.59906
[ 0, 0.002, -0.001, 0.003, 0.002, -0.001, 0.003, -0.001, 0.002, 0, 0.003, 0.086, 0.217, 0.217, 0.217, 0.351, 0.217, 0.217, 0.217, 0.086, 0.351, 0.086, 0.351, 1.739, 1.76, 1.739, 1.739, 0.035, 0, 0.035, 0.045, 0.035, 0.025, -0.009, 0.039, 0.045, 0, 0.039, 0.039, 0.039, 0.039, 0, 0.045, 0.039, -0.009, 0.025, 0.035, 0.045, 0.035, 0, 0.035, 0.025, 0, 0.045, 0.025, 0.025, 0.045, 0, 0.025 ]
[ [ 0.00058244, 0.00058343, 0.00058443 ], [ 0.01363174, -0.01360859, 0 ], [ -0.0111854, -0.00001901, 0.01116639 ], [ 0.00028885, 4.9e-7, -0.00028836 ], [ 0, 0.01363176, -0.01360857 ], [ 0, 0.01118541, -0.01116639 ], [ -0.00028885, 0.00028836, 0 ], [ 0.0111854, -0.0111664, 0 ], [ -0.01363174, -0.00002317, 0.01360857 ], [ -0.00058244, -0.00058343, -0.00058443 ], [ 0, -0.00028885, 0.00028836 ], [ 0.0008814, 0.0000015, -0.0008799 ], [ -0.00248346, -0.00126794, -0.00199656 ], [ -0.00126372, -0.00199233, -0.00248901 ], [ 0.00199018, 0.0012671, 0.00248901 ], [ 0, -0.00438386, 0.00437641 ], [ -0.00199018, -0.00248685, -0.00127134 ], [ 0.00126372, 0.00248561, 0.00199656 ], [ 0.00248346, 0.0019944, 0.00127134 ], [ -0.0008814, 0.00087991, 0 ], [ -0.00438386, 0.00437641, 0 ], [ 0, -0.0008814, 0.0008799 ], [ 0.00438386, 0.00000745, -0.00437641 ], [ 0.00137282, -0.00137049, 0 ], [ 0, 0, 0 ], [ -0.00137282, -0.00000233, 0.00137049 ], [ 0, 0.00137282, -0.00137049 ], [ -0.0010894, 0.00289659, 0.00303723 ], [ 0.00057153, -0.00225176, -0.00005908 ], [ 0.00289844, 0.00303908, -0.0010793 ], [ 0.00106969, 0.0002058, 0.00227933 ], [ -0.00303415, -0.0029036, 0.0010793 ], [ -0.00138825, 0.00211907, -0.00212562 ], [ -0.00060449, -0.00060552, -0.00060655 ], [ 0.00233558, 0.00065288, 0.00339737 ], [ -0.00020399, -0.00107004, -0.00227933 ], [ 0.00005621, 0.00225283, -0.0005676 ], [ 0.00339227, 0.00234135, 0.00065866 ], [ 0.00064891, 0.00339338, 0.00234247 ], [ -0.00064891, -0.00233668, -0.00339737 ], [ -0.00339227, -0.00065467, -0.00234247 ], [ -0.00005621, 0.00057144, -0.00225186 ], [ 0.00020399, 0.00227751, 0.00107392 ], [ -0.00233558, -0.00339625, -0.00065866 ], [ 0.00060449, 0.00060552, 0.00060655 ], [ 0.00138825, 0.00212922, -0.00211545 ], [ 0.00303415, -0.00108424, 0.00290176 ], [ -0.00106969, -0.00227898, -0.00020968 ], [ -0.00289844, 0.00108447, -0.00303723 ], [ -0.00057153, 0.00005524, 0.00225186 ], [ 0.0010894, -0.0030323, -0.00290176 ], [ 0.00212143, -0.00212326, -0.00138827 ], [ 0.00225273, -0.00056771, 0.00005908 ], [ -0.00227716, -0.00020786, -0.00107392 ], [ -0.00212686, -0.00139187, 0.00211545 ], [ 0.00212686, -0.00211782, 0.00138827 ], [ 0.00227716, 0.00107356, 0.00020968 ], [ -0.00225273, -0.00006004, 0.0005676 ], [ -0.00212143, 0.00138465, 0.00212562 ] ]
10.863451
8.201314
pbe
true
06ca7d83c7733eb6c8b6f865213d0e1d_155_Li11Ti12Ni4O32
[ "Li", "Ni", "O", "V" ]
20
A12B4C3D
Li3NiO12V4
Li3 V4 Ni1 O12
4
[ 1, 1, 1 ]
3
[ [ 4.32550991, 5.25001301, -0.01195713 ], [ -4.32550991, 5.25001301, -0.01195713 ], [ 0, 2.21198294, 5.40077357 ] ]
agm005270907
[ [ 3.5721580820962373, 6.35600448, 2.688429655 ], [ 1.9373144825924937, 5.25001301, -0.01195713 ], [ -2.0141950576104555, 6.35600448, 2.688429655 ], [ -0.8278782874083056, 7.524948870202718, 0.0532742462290048 ], [ -0.8278782874083058, 5.1870600897972805, 5.323585063770995 ], [ 0.8162183563847114, 8.639729261156173, 2.7464816114499024 ], [ 0.8162183563847117, 4.072279698843827, 2.630377698550098 ], [ -3.658648642481246, 5.25001301, -0.01195713 ], [ 0.8677499726567038, 10.239169383379364, 2.096048180996353 ], [ 0.867749972656704, 2.472839576620636, 3.280811129003647 ], [ 2.351414275734704, 7.984623915340732, 2.7226553078099 ], [ 2.351414275734704, 4.727385044659268, 2.6542040021901 ], [ -0.887269009145975, 11.397067206367176, 4.948964645435607 ], [ -0.8872690091459752, 1.3149417536328252, 0.42789466456439273 ], [ -0.27420609811245, 7.534496815409478, 1.8158463007849523 ], [ -0.27420609811244984, 5.177512144590522, 3.561013009215048 ], [ 0.36665158799055536, 8.656469097997487, 4.495834835019031 ], [ 0.3666515879905555, 4.0555398620025125, 0.8810244749809688 ], [ -2.3295073414996175, 6.753465535090989, 0.20588217712658233 ], [ -2.3295073414996175, 5.958543424909011, 5.170977132873418 ] ]
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]
[ "Li", "Li", "Li", "V", "V", "V", "V", "Ni", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.15, 0.05, 0.6, 0.2 ]
[ [ 0.9280099, 0, 0 ], [ 0, 1.004545, 0.09752364 ], [ 0, 0.09752358, 1.132829 ] ]
-134.884633
[ 0, 0, 0, 0.59, 0.59, 0.096, 0.096, 1.77, 0.007, 0.007, -0.006, -0.006, -0.018, -0.018, -0.025, -0.025, -0.018, -0.018, -0.031, -0.031 ]
[ [ 0.00012085, 0, 0 ], [ -0.00136506, 0, 0 ], [ 0.00261832, 0, 0 ], [ -0.00314014, -0.00073491, -0.00059836 ], [ -0.00314014, 0.00073491, 0.00059836 ], [ -0.00043168, -0.00080549, -0.00213626 ], [ -0.00043168, 0.00080549, 0.00213626 ], [ -0.00201717, 0, 0 ], [ -0.00179383, -0.0040488, 0.00107762 ], [ -0.00179383, 0.0040488, -0.00107762 ], [ -0.00009616, 0.0016751, -0.00175317 ], [ -0.00009616, -0.0016751, 0.00175317 ], [ 0.00215146, -0.00017753, 0.00098404 ], [ 0.00215146, 0.00017753, -0.00098404 ], [ 0.00177041, 0.00071802, -0.0011736 ], [ 0.00177041, -0.00071802, 0.0011736 ], [ -0.00081154, -0.00101645, -0.00280581 ], [ -0.00081154, 0.00101645, 0.00280581 ], [ 0.002673, -0.00066754, -0.00031725 ], [ 0.002673, 0.00066754, 0.00031725 ] ]
3.000001
6.632734
pbe
true
0795a5c4ec2829fc01cc9a9d71fa16dd_5_Li3V4Ni1O12
[ "Li", "Ni", "Os", "P" ]
5
A2BCD
LiNiOsP2
Li1 Ni1 P2 Os1
4
[ 1, 1, 1 ]
3
[ [ 3.84556433, 0, 0 ], [ 0, 3.84556433, 0 ], [ -1.92278216, -1.92278216, 4.77596409 ] ]
agm005021485
[ [ 0, 0, 0 ], [ 2.500000095828625e-9, 1.9227821675000003, 2.387982045 ], [ 1.922782166175018, 1.922782166175018, 1.1223685635821605 ], [ 3.824982413393205e-9, 3.824982413393205e-9, 3.65359552641784 ], [ 1.9227821675000003, 2.500000095828625e-9, 2.387982045 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "Li", "Ni", "P", "P", "Os" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ -2.1504078, 0, 0 ], [ 0, -2.1504078, 0 ], [ 0, 0, -2.4705935 ] ]
-32.113905
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00202035 ], [ 0, 0, -0.00202035 ], [ 0, 0, 0 ] ]
-0.000231
2.452955
pbe
true
1c5efcd798432f5d07340385d7335c26_119_Li1Ni1P2Os1
[ "La", "Ni", "Tm" ]
4
A2BC
LaNi2Tm
La1 Tm1 Ni2
3
[ 1, 1, 1 ]
3
[ [ 3.41814692, 0, 0 ], [ 0, 3.41814692, 0 ], [ 0, 0, 6.91722952 ] ]
agm001135664
[ [ 0, 0, 5.387181513688205 ], [ 0, 0, 1.5300480063117952 ], [ 1.70907346, 1.70907346, 0 ], [ 1.70907346, 1.70907346, 3.45861476 ] ]
[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}]
[ "Ni", "Ni", "Tm", "La" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ -4.259392, 0, 0 ], [ 0, -4.259392, 0 ], [ 0, 0, -4.486744 ] ]
-22.29256
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0.00263912 ], [ 0, 0, -0.00263912 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000014
3.786098
pbe
true
417a0566f8adf4f7fbb1269b2b5a65ed_123_La1Tm1Ni2
[ "Ge", "Pa", "Ru" ]
12
A4BC
GePa4Ru
Pa8 Ge2 Ru2
3
[ 1, 1, 1 ]
3
[ [ 7.88579396, -0.35038976, 0 ], [ -1.55384816, 5.65267151, 0 ], [ -3.1659729, -2.65114087, 6.12554781 ] ]
agm003743657
[ [ 6.427949582877975, 1.4004532372960152, 0.7139335773431496 ], [ 3.846893212660507, 3.726633577342771, 0.7139335773431496 ], [ -0.10441762797057257, 2.1325445649171426, 4.277123390972432 ], [ 3.270390527970573, 0.5185963150828572, 1.8484244190275678 ], [ 0.672507942558129, -0.6937968977596187, 1.8484244190275678 ], [ -0.680920312660507, -1.0754926973427714, 5.41161423265685 ], [ 2.493464957441871, 3.344937777759619, 4.277123390972432 ], [ -3.261976682877975, 1.2506876427039855, 5.41161423265685 ], [ 1.1945243783402713, 2.73873828987016, 1.69257235111965 ], [ 1.9714485216597282, -0.08759740987015929, 4.43297545888035 ], [ -2.7483694040271, 2.913935848661088, 3.0875369220657496 ], [ 5.914342304027101, -0.2627949686610878, 3.03801088793425 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}]
[ "Pa", "Pa", "Pa", "Pa", "Pa", "Pa", "Pa", "Pa", "Ge", "Ge", "Ru", "Ru" ]
2023-11-16 06:57:59
[ 0.16666666666666666, 0.6666666666666666, 0.16666666666666666 ]
[ [ 1.0720317, -0.04663546, 0 ], [ -0.04663485, 1.0765109, 0 ], [ 0, 0, 0.98538864 ] ]
-107.328066
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0.00005045, -0.00046001, -0.00021715 ], [ -0.00005045, 0.00046001, -0.00021715 ], [ 0.00321672, -0.00318838, 0.00224366 ], [ -0.00321672, 0.00318838, -0.00224366 ], [ 0.00321672, -0.00318838, -0.00224366 ], [ 0.00005045, -0.00046001, 0.00021715 ], [ -0.00321672, 0.00318838, 0.00224366 ], [ -0.00005045, 0.00046001, 0.00021715 ], [ 0, 0, -0.00463809 ], [ 0, 0, 0.00463809 ], [ 0, 0, 0.00147739 ], [ 0, 0, -0.00147739 ] ]
0.000137
23.460423
pbe
true
586099c4d18c2e027188e0042e4e7b3b_15_Pa8Ge2Ru2
[ "Li", "Ni", "Pr", "Se" ]
12
A3BCD
LiNiPrSe3
Li1 Ni1 Pr1 Se3
4
[ 1, 1, 1 ]
3
[ [ 1.974719, -6.295468, 0 ], [ 1.974719, 6.295468, 0 ], [ 0, 0, 11.018706 ] ]
oqmd-4575686
[ [ 1.97472, -2.862390000000001, 2.754670000000001 ], [ 1.97472, 2.862390000000001, 8.264029999999998 ], [ 1.9747200000000007, 6.089690000000003, 2.754670000000001 ], [ 1.9747200000000007, -6.089690000000003, 8.264029999999998 ], [ 1.97472, -6.8553703494302e-17, 0 ], [ 1.97472, -6.8553703494302e-17, 5.5093499999999995 ], [ 1.97472, 4.3886899999999995, 1.0744799999999997 ], [ 1.97472, 1.129270000000004, 2.754670000000001 ], [ 1.97472, 4.3886899999999995, 4.434849999999999 ], [ 1.97472, -4.3886899999999995, 6.583840000000001 ], [ 1.97472, -1.1292700000000042, 8.264029999999998 ], [ 1.97472, -4.3886899999999995, 9.944209999999996 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}]
[ "Li", "Li", "Ni", "Ni", "Pr", "Pr", "Se", "Se", "Se", "Se", "Se", "Se" ]
2024-11-01 00:00:00
[ 0.16666666666666666, 0.16666666666666666, 0.16666666666666666, 0.5 ]
[ [ 16.85677, 0, 0 ], [ 0, 9.40885, 0 ], [ 0, 0, 17.57435 ] ]
-57.9079
[ 0.001, 0.001, 0.574, 0.576, 0.021, 0.019, 0.078, 0.08, 0.079, 0.08, 0.08, 0.079 ]
[ [ 0, 0.072797, 0 ], [ 0, -0.072797, 0 ], [ 0, -0.028729, 0 ], [ 0, 0.028729, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, -0.024104, -0.066294 ], [ 0, 0.058985, 0 ], [ 0, -0.024104, 0.066294 ], [ 0, 0.024104, -0.066294 ], [ 0, -0.058985, 0 ], [ 0, 0.024104, 0.066294 ] ]
2.05106
null
pbe
true
10f06d3b156c9a1b20b6b714a501ae3e_63_Li2Pr2Ni2Se6
[ "Li", "Ni", "S", "Zr" ]
12
A3BCD
LiNiS3Zr
Li1 Ni1 S3 Zr1
4
[ 1, 1, 1 ]
3
[ [ 1.767757856, -6.205648597, 0 ], [ 1.767757856, 6.205648597, 0 ], [ 0, 0, 9.61230747 ] ]
oqmd-8897380
[ [ 1.7677600000000002, 3.337330000000001, 2.40308 ], [ 1.76776, -3.33733, 7.20923 ], [ 1.7677600000000002, -0.2335700000000003, 2.40308 ], [ 1.7677600000000002, 0.23357000000000025, 7.20923 ], [ 1.76776, -1.72688, 0.71724 ], [ 1.7677600000000002, -5.065790000000001, 2.40308 ], [ 1.76776, -1.72688, 4.08891 ], [ 1.76776, 1.7268800000000002, 5.5234 ], [ 1.7677600000000002, 5.065790000000001, 7.20923 ], [ 1.76776, 1.7268800000000002, 8.895059999999999 ], [ 0, 0, 0 ], [ 0, 0, 4.80615 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}]
[ "Li", "Li", "Ni", "Ni", "S", "S", "S", "S", "S", "S", "Zr", "Zr" ]
2024-11-01 00:00:00
[ 0.16666666666666666, 0.16666666666666666, 0.5, 0.16666666666666666 ]
[ [ 4.55476425, 0, 0 ], [ 0, 2.90180794, 0 ], [ 0, 0, 7.27928622 ] ]
-70.724
[ 0.001, 0.001, 0.243, 0.244, 0.021, 0.032, 0.02, 0.02, 0.032, 0.021, -0.005, -0.006 ]
[ [ 0, 0.063254, 0 ], [ 0, -0.063254, 0 ], [ 0, 0.000727, 0 ], [ 0, -0.000727, 0 ], [ 0, -0.029547, -0.021824 ], [ 0, 0.031769, 0 ], [ 0, -0.029547, 0.021824 ], [ 0, 0.029547, -0.021824 ], [ 0, -0.031769, 0 ], [ 0, 0.029547, 0.021824 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.712385
null
pbe
true
f0544abe40c79f7bb331063dd8b9cbaf_63_Li2Zr2Ni2S6
[ "Ni", "Pb", "Ti" ]
3
ABC
NiPbTi
Ti1 Ni1 Pb1
3
[ 1, 1, 1 ]
3
[ [ 4.28290721, 0, 0 ], [ -2.1414536, 3.70898671, 0.00018839 ], [ 0, 2.47277755, 3.49694368 ] ]
agm002191269
[ [ 2.1414536050000024, 1.2363543538610657, 1.74842095954858 ], [ 2.4999978318640438e-9, 2.4727121983490004, 0.8743670076729324 ], [ 9.999999954158404e-17, 0.0000099405621587, 0.000013952809051 ] ]
[{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]
[ "Pb", "Ni", "Ti" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ -3.5180383, 0, 0 ], [ 0, -3.508151, -0.01975348 ], [ 0, -0.01975376, -3.4936078 ] ]
-18.022158
[ 0, 0, 0 ]
[ [ 0, 0.00013425, 0.00020247 ], [ 0, -0.00014372, -0.0002168 ], [ 0, 0.00000947, 0.00001433 ] ]
0
0
pbe
true
9f63761b586652833b9de63d35c2ede2_216_Ti1Ni1Pb1
[ "Li", "Ni", "Se", "Zr" ]
12
A3BCD
LiNiSe3Zr
Li1 Ni1 Se3 Zr1
4
[ 1, 1, 1 ]
3
[ [ 1.826896571, -6.611015487, 0 ], [ 1.826896571, 6.611015487, 0 ], [ 0, 0, 9.880203866 ] ]
oqmd-8897399
[ [ 1.8269, 3.80101, 2.4700499999999996 ], [ 1.8268999999999995, -3.80101, 7.410149999999999 ], [ 1.8269, -0.25734000000000035, 2.4700499999999996 ], [ 1.8269, 0.25733999999999996, 7.410149999999999 ], [ 1.8268999999999995, -1.86731, 0.7048799999999998 ], [ 1.8268999999999995, -5.34413, 2.4700499999999996 ], [ 1.8268999999999995, -1.86731, 4.23522 ], [ 1.8269, 1.86731, 5.644979999999999 ], [ 1.8269, 5.34413, 7.410149999999999 ], [ 1.8269, 1.86731, 9.17532 ], [ 0, 0, 0 ], [ 0, 0, 4.940099999999999 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}]
[ "Li", "Li", "Ni", "Ni", "Se", "Se", "Se", "Se", "Se", "Se", "Zr", "Zr" ]
2024-11-01 00:00:00
[ 0.16666666666666666, 0.16666666666666666, 0.5, 0.16666666666666666 ]
[ [ 2.03731269, 0, 0 ], [ 0, 0.98993823, 0 ], [ 0, 0, 5.04336802 ] ]
-65.1905
[ 0, 0, 0.029, 0.031, 0.003, 0.004, 0.002, 0.002, 0.004, 0.002, -0.001, -0.001 ]
[ [ 0, 0.032894, 0 ], [ 0, -0.032894, 0 ], [ 0, -0.033078, 0 ], [ 0, 0.033078, 0 ], [ 0, 0.024747, -0.025636 ], [ 0, -0.074654, 0 ], [ 0, 0.024747, 0.025636 ], [ 0, -0.024747, -0.025636 ], [ 0, 0.074654, 0 ], [ 0, -0.024747, 0.025636 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.092404
null
pbe
true
bbaedcbdb71ebb915cfe0898150a1369_63_Li2Zr2Ni2Se6
[ "La", "Os", "Pt" ]
4
A2BC
LaOsPt2
La1 Os1 Pt2
3
[ 1, 1, 1 ]
3
[ [ 3.37579994, 0, 0 ], [ 0, 3.37579994, 0 ], [ 0, 0, 6.83212557 ] ]
agm004372918
[ [ 1.68789997, 1.68789997, 1.7080313925 ], [ 1.68789997, 1.68789997, 5.1240941775 ], [ 0, 0, 6.453634353578962 ], [ 0, 0, 3.7945540014210377 ] ]
[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]
[ "La", "Os", "Pt", "Pt" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
[ [ 6.6647196, 0, 0 ], [ 0, 6.6647196, 0 ], [ 0, 0, 6.2303395 ] ]
-28.486734
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.02224233 ], [ 0, 0, -0.02224233 ] ]
-0.000001
3.262068
pbe
true
dbc06731e799fb76ff58bda225f31e05_123_La1Os1Pt2
[ "Li", "Mo", "Se" ]
4
A2BC
LiMo2Se
Li1 Mo2 Se1
3
[ 1, 1, 1 ]
3
[ [ 4.46372784, 0, 0 ], [ 0, 4.46372784, 0 ], [ 0, 0, 2.9317987 ] ]
agm003954087
[ [ 0, 2.23186392, 1.46589935 ], [ 0, 0, 0 ], [ 2.23186392, 2.23186392, 0 ], [ 2.23186392, 0, 1.46589935 ] ]
[{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}]
[ "Li", "Mo", "Mo", "Se" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ 2.5448015, 0, 0 ], [ 0, 2.5448015, 0 ], [ 0, 0, 2.6031992 ] ]
-25.212596
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000155
3.359212
pbe
true
f0fe21c376f4a4e82db94540b4e63601_123_Li1Mo2Se1
[ "Li", "Ni", "Sr" ]
4
A2BC
Li2NiSr
Sr1 Li2 Ni1
3
[ 1, 1, 1 ]
3
[ [ 4.208868, 0, 0 ], [ 0, 4.20901158, 0 ], [ 0, 0, 5.05581448 ] ]
agm004079778
[ [ 0, 0, 0 ], [ 2.104434, 2.10450579, 0 ], [ 2.104434, 0, 2.52790724 ], [ 0, 2.10450579, 2.52790724 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]
[ "Li", "Li", "Ni", "Sr" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ -1.8564739, 0, 0 ], [ 0, -1.860097, 0 ], [ 0, 0, -1.5236487 ] ]
-10.509921
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000056
2.220782
pbe
true
1dccdcefcdbe6c7cf4779d054d53b750_123_Sr1Li2Ni1
[ "Cd", "Li", "Ru" ]
4
A2BC
Cd2LiRu
Li1 Cd2 Ru1
3
[ 1, 1, 1 ]
3
[ [ 5.07398226, 0.00088565, 0 ], [ 1.85658169, 4.7221183, 0 ], [ -3.46528085, -2.36150121, 2.85664793 ] ]
agm004234930
[ [ 0, 0, 0 ], [ 0.9282914075000002, 2.3610595325, 1.428323965 ], [ 3.465281975, 2.361501975, 0 ], [ 2.5369916924999996, 0.0004432075000000424, 1.428323965 ] ]
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}]
[ "Cd", "Cd", "Li", "Ru" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 6.1589813, 0.35795063, 0.00000221 ], [ 0.35795063, 5.877657, 0.00000151 ], [ 0.00000221, 0.00000151, 5.6337304 ] ]
-12.470967
[ -0.004, -0.011, -0.002, 0.601 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.616174
1.981846
pbe
true
1a29a239841e29368a2becafe003cdf6_119_Li1Cd2Ru1
[ "Li", "Os", "Si" ]
4
A2BC
Li2OsSi
Li2 Si1 Os1
3
[ 1, 1, 1 ]
3
[ [ 3.50192066, 0, 0 ], [ 0, 3.50192066, 0 ], [ 0, 0, 4.26769206 ] ]
agm003912352
[ [ 0, 0, 0 ], [ 1.75096033, 1.75096033, 0 ], [ 1.75096033, 0, 2.13384603 ], [ 0, 1.75096033, 2.13384603 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Li", "Li", "Os", "Si" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ -1.1342326, 0, 0 ], [ 0, -1.1342326, 0 ], [ 0, 0, 8.874968 ] ]
-20.560343
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000011
2.52428
pbe
true
eabd87c724ee256f9e663966fbcee532_123_Li2Si1Os1
[ "Pb", "Pt", "Se" ]
10
A3BC
PbPtSe3
Pt2 Pb2 Se6
3
[ 1, 1, 1 ]
3
[ [ 15.62531274, 0.00001716, 0 ], [ -0.00002764, 3.67296703, 0 ], [ 0, 0, 18.35238141 ] ]
agm2000100636
[ [ 4.930806033198591, 1.3081851095442028, 9.176190888523815 ], [ 10.69443054114353, 3.1446473335636025, 9.176190888523815 ], [ 1.675940322899956, 3.148096262347322, 9.176190888523815 ], [ 13.949324637709845, 1.3116198719509888, 9.176190888523815 ], [ 12.439507167683463, 3.1472868076624625, 10.852372977367255 ], [ 3.1857346797132555, 1.3108015043524257, 7.499999807013483 ], [ 3.1857346797129793, 1.3108015410820961, 10.852381235938887 ], [ 12.439507323936867, 3.147286770932964, 7.500008065585118 ], [ 6.533118653415327, 3.1453722882474104, 9.176190705 ], [ 9.0921352545586, 1.3088508503860115, 9.176190705 ] ]
[{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]
[ "Pt", "Pt", "Pb", "Pb", "Se", "Se", "Se", "Se", "Se", "Se" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.6 ]
[ [ 0.6043709, -0.0000034, 0 ], [ -0.0000034, 0.5407097, 0 ], [ 0, 0, -0.06877952 ] ]
-40.439854
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0.00024274, 0.00038677, 0 ], [ -0.00024275, 0.00038677, 0 ], [ -0.00004022, -0.00154738, 0 ], [ 0.00004024, -0.00154738, 0 ], [ 0.00710073, 0.00062502, 0.00365651 ], [ -0.00710074, 0.000625, -0.00365651 ], [ -0.00710074, 0.000625, 0.00365651 ], [ 0.00710073, 0.00062502, -0.00365651 ], [ 0.00649279, -0.0000894, 0 ], [ -0.00649279, -0.00008942, 0 ] ]
0
6.840381
pbe
true
747bea4ff04079c90f7f48ffb9b1c82e_51_Pt2Pb2Se6
[ "Pb", "Pu", "Tl" ]
10
A5B4C
Pb5Pu4Tl
Pu4 Tl1 Pb5
3
[ 1, 1, 1 ]
3
[ [ 3.42144421, 0, 3e-8 ], [ 0, 3.42144421, 1e-8 ], [ 0.00000206, 0.00000103, 24.5451787 ] ]
agm006051887
[ [ 4.3280315720000007e-7, 2.1640157860000004e-7, 5.156908172523394 ], [ 8.328198488000002e-7, 4.164099244000001e-7, 9.923161171700476 ], [ 3.4214454371801515, 3.421444823590076, 14.622017568299526 ], [ 3.421445837196843, 3.4214450235984217, 19.388270567476606 ], [ 0, 0, 0 ], [ 1.710722332465921, 1.7107222187329607, 2.710287242866545 ], [ 1.710722737486023, 1.7107224212430117, 7.536156553877335 ], [ 1.710723135, 1.71072262, 12.27258937 ], [ 1.7107235325139771, 1.7107228187569885, 17.009022186122667 ], [ 1.710723937534079, 1.7107230212670397, 21.83489149713346 ] ]
[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}]
[ "Pu", "Pu", "Pu", "Pu", "Tl", "Pb", "Pb", "Pb", "Pb", "Pb" ]
2023-11-16 06:57:59
[ 0.5, 0.4, 0.1 ]
[ [ 6.6154733, 0, 6.2e-7 ], [ 0, 6.6154733, 3.1e-7 ], [ 6.2e-7, 3.1e-7, 6.8247585 ] ]
-79.333183
[ -5.59, 5.6, 5.6, -5.59, 0.026, 0.027, 0.002, -0.066, 0.002, 0.027 ]
[ [ 0, 0, 0.01293444 ], [ 0, 0, 0.01854905 ], [ 0, 0, -0.01854905 ], [ 0, 0, -0.01293444 ], [ 0, 0, 0 ], [ 0, 0, 0.00463336 ], [ 0, 0, 0.02573697 ], [ 0, 0, 0 ], [ 0, 0, -0.02573697 ], [ 0, 0, -0.00463336 ] ]
0.101977
29.977325
pbe
true
98c685c0ffcc0f1148445afb8ca89f60_123_Pu4Tl1Pb5
[ "Pb", "Pu", "Tm" ]
3
ABC
PbPuTm
Pb1 Pu1 Tm1
3
[ 1, 1, 1 ]
3
[ [ 0, 3.630638, 3.630638 ], [ 3.630638, 0, 3.630638 ], [ 3.630638, 3.630638, 0 ] ]
oqmd-3369847
[ [ 1.8153199999999992, 1.8153199999999992, 1.8153199999999992 ], [ 5.445959999999999, 5.445959999999999, 5.445959999999999 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}]
[ "Pb", "Pu", "Tm" ]
2024-11-01 00:00:00
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 3.89431, 0, 0 ], [ 0, 3.89431, 0 ], [ 0, 0, 3.89431 ] ]
-21.6423
[ 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
6.89681
null
pbe
true
9bc01d3b3941aab567270324566e8998_216_Tm1Pu1Pb1
[ "Pd", "Sm", "Th" ]
16
A12B3C
Pd12Sm3Th
Sm3 Th1 Pd12
3
[ 1, 1, 1 ]
3
[ [ 4.18513528, 0, 0 ], [ 0, 4.18513428, 0 ], [ 0, 0, 16.70589162 ] ]
agm005917905
[ [ 0, 0, 4.210040554208814 ], [ 0, 0, 8.35294581 ], [ 0, 0, 12.495851065791184 ], [ 0, 0, 0 ], [ 2.09256764, 2.09256714, 0 ], [ 2.09256764, 2.09256714, 4.170362558081068 ], [ 2.09256764, 2.09256714, 8.35294581 ], [ 2.09256764, 2.09256714, 12.53552906191893 ], [ 2.09256764, 0, 2.0730133758201914 ], [ 2.09256764, 0, 6.263225206088479 ], [ 2.09256764, 0, 10.44266641391152 ], [ 2.09256764, 0, 14.632878244179807 ], [ 0, 2.09256714, 2.0730133758201914 ], [ 0, 2.09256714, 6.263225206088479 ], [ 0, 2.09256714, 10.44266641391152 ], [ 0, 2.09256714, 14.632878244179807 ] ]
[{"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}]
[ "Sm", "Sm", "Sm", "Th", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd" ]
2023-11-16 06:57:59
[ 0.75, 0.1875, 0.0625 ]
[ [ 4.0323696, 0, 0 ], [ 0, 4.0323677, 0 ], [ 0, 0, 4.1404853 ] ]
-97.763229
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, -0.0004888 ], [ 0, 0, 0 ], [ 0, 0, 0.0004888 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.00081745 ], [ 0, 0, 0 ], [ 0, 0, 0.00081745 ], [ 0, 0, -0.00544809 ], [ 0, 0, 0.00228 ], [ 0, 0, -0.00228 ], [ 0, 0, 0.00544809 ], [ 0, 0, -0.00544809 ], [ 0, 0, 0.00228 ], [ 0, 0, -0.00228 ], [ 0, 0, 0.00544809 ] ]
0.000011
6.675886
pbe
true
0db3d301a3649ef1920d1f4dbc33509e_123_Sm3Th1Pd12
[ "Cd", "Li", "Y" ]
3
ABC
CdLiY
Li1 Y1 Cd1
3
[ 1, 1, 1 ]
3
[ [ 5.69714085, -0.01757045, -0.01941763 ], [ 3.24734406, 4.68107679, 0.01941768 ], [ -4.4614243, -2.35249644, 2.64944412 ] ]
agm003159232
[ [ 1.479484062138237, 0.7449948175698764, 2.6494441532098967 ], [ 3.1434886852797583, 1.6389629543821789, 1.7572217498959954e-8 ], [ 4.343148472582006, 2.238062028047944, 2.6494441692178863 ] ]
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
[ "Y", "Li", "Cd" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 2.3703494, 0.03301478, -0.02762914 ], [ 0.03301478, 2.3242416, 0.05299694 ], [ -0.02762914, 0.05299694, 2.3089685 ] ]
-9.73349
[ 0.14, 0.001, 0.001 ]
[ [ -0.0000417, -0.00002174, 0 ], [ -0.0034748, -0.0018117, 0 ], [ 0.0035165, 0.00183344, 0 ] ]
0.266263
1.668399
pbe
true
995e33ffee056f8574879b6fabe96c17_107_Li1Y1Cd1
[ "Li", "O", "P", "Ru" ]
21
A14B4C2D
LiO14P4Ru2
Li1 P4 Ru2 O14
4
[ 1, 1, 1 ]
3
[ [ 4.8689333, 0.00081721, -0.00007098 ], [ -1.98156555, 6.59702968, -0.01290183 ], [ -0.35571231, -0.3500606, 8.18970387 ] ]
agm003227280
[ [ -0.177856155, -0.1750303, 4.094851935 ], [ 0.09093397907611912, 4.714070214715198, 6.59705520845654 ], [ 2.4407214609238816, 1.5337160752848027, 1.5796758515434604 ], [ -1.2685102136273423, 4.15801288251418, 2.1656747788968103 ], [ 3.8001656536273423, 2.0897734074858203, 6.0110562811031905 ], [ 1.26582772, 3.1238931450000003, 4.08836553 ], [ 0, 0, 0 ], [ -1.0298801606693868, 5.3830707762879655, 1.3084852549151738 ], [ 3.5615356006693872, 0.8647155137120341, 6.868245805084827 ], [ 0.6218620141940909, 4.7686919667165055, 5.147003088630565 ], [ 1.909793425805909, 1.4790943232834952, 3.029727971369436 ], [ -0.355001007102163, 3.1910468487034436, 6.920416725549677 ], [ 2.886656447102163, 3.056739441296557, 1.2563143344503243 ], [ -1.1580724466671342, 5.617340284217824, 6.6450502087969125 ], [ 3.6897278866671344, 0.630446005782176, 1.531680851203088 ], [ 0.07749308814419645, 3.569640438336277, 2.5781802486629863 ], [ 2.4541623518558042, 2.678145851663723, 5.598550811337014 ], [ 1.1343996785050274, 4.91315866061669, 7.69536554033314 ], [ 1.3972557614949728, 1.33462762938331, 0.48136551966686103 ], [ -0.12819475245829332, 1.7595430038885704, 4.81207987168616 ], [ 2.6598501924582942, 4.488243286111429, 3.36465118831384 ] ]
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "Li", "P", "P", "P", "P", "Ru", "Ru", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.047619047619047616, 0.6666666666666666, 0.19047619047619047, 0.09523809523809523 ]
[ [ 0.5478626, -0.01731043, -0.01537081 ], [ -0.01731022, 0.456114, 0.02413481 ], [ -0.01537088, 0.02413478, 0.5671595 ] ]
-149.159757
[ 0, 0.001, 0.001, 0.003, 0.003, 1.09, 1.158, 0.026, 0.026, 0.028, 0.028, 0.007, 0.007, 0.042, 0.042, 0.065, 0.065, 0.065, 0.065, 0.026, 0.026 ]
[ [ 0, 0, 0 ], [ -0.00161683, 0.00209102, -0.00044752 ], [ 0.00161683, -0.00209102, 0.00044752 ], [ 0.0016305, -0.00037076, -0.00330222 ], [ -0.0016305, 0.00037076, 0.00330222 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00299404, 0.00234584, -0.00185717 ], [ 0.00299404, -0.00234584, 0.00185717 ], [ -0.00000582, 0.00282286, 0.00713418 ], [ 0.00000582, -0.00282286, -0.00713418 ], [ -0.00051228, -0.003688, -0.00183255 ], [ 0.00051228, 0.003688, 0.00183255 ], [ 0.00314353, 0.00116029, 0.00346233 ], [ -0.00314353, -0.00116029, -0.00346233 ], [ -0.00092527, 0.00155953, 0.0019586 ], [ 0.00092527, -0.00155953, -0.0019586 ], [ 0.00440586, 0.00030889, -0.00188922 ], [ -0.00440586, -0.00030889, 0.00188922 ], [ -0.00504866, -0.00156947, 0.00396429 ], [ 0.00504866, 0.00156947, -0.00396429 ] ]
3.004584
7.767979
pbe
true
b551e2e48d8e87c0e615404d8e786c7f_2_Li1P4Ru2O14
[ "Li", "O", "P", "Sb" ]
36
A12B4CD
LiO12P4Sb
Li2 O24 P8 Sb2
4
[ 1, 1, 1 ]
3
[ [ 5.46421333, 0.00047581, -0.88941547 ], [ -1.12012514, 9.89237651, 3.77480074 ], [ -0.00063684, 0.00396749, 10.64720152 ] ]
mp-684082
[ [ 2.7127636783354308, 5.563240199163457, 7.562813831925232 ], [ 1.6306876716645688, 4.333579610836543, 5.969772958074768 ], [ -0.00031842, 0.001983745, 5.32360076 ], [ -0.56006257, 4.946188255, 1.88740037 ], [ 0.114229203189434, 7.611351052449892, 6.749682727048882 ], [ 1.922361274452142, 9.364793803724654, 10.62655476729273 ], [ 2.4210900755478573, 0.5320260062753474, 2.90603202270727 ], [ 0.554324615492736, 3.724000514993994, 9.451374254139996 ], [ 4.229222146810566, 2.2854687575501074, 6.7829040629511175 ], [ 2.1544143047305973, 2.8875656734293917, 1.2689423136217541 ], [ 2.1890370452694023, 7.0092541365706085, 12.263644476378245 ], [ 3.789126734507264, 6.172819295006006, 4.081212535860004 ], [ -0.37309465649045653, 4.612952228886275, 10.262506866144115 ], [ 1.3852632558832256, 3.797187174600614, 2.207870801573162 ], [ 3.2696291279228715, 3.422460085450583, 6.703810844783359 ], [ 0.6936582190462548, 6.830628928970202, 12.314183405151674 ], [ 2.7622483739449226, 6.951121256105419, 3.0981737880825513 ], [ -0.274749338009511, 2.4251955616216336, 8.964458658704967 ], [ 0.42025339437070575, 9.245606141713933, 10.63578486328571 ], [ 0.9022816616098713, 8.942591643023098, 6.266598679113129 ], [ 3.4411696883901284, 0.954228166976902, 7.2659881108868705 ], [ 2.5106597680432174, 8.551773883183378, 11.895811576286292 ], [ 1.317046336267423, 4.325967888171294, 8.321898822942288 ], [ 1.8327915819567828, 1.3450459268166222, 1.6367752137137066 ], [ 1.5812029760550772, 2.9456985538945815, 10.434413001917449 ], [ 2.958188094116774, 6.099632635399386, 11.324715988426837 ], [ 3.6497931309537455, 3.0661908810297978, 1.2184033848483247 ], [ -0.7480687738846615, 7.925088179487453, 7.960586947142063 ], [ 4.618200688009511, 7.471624248378366, 4.568128131295032 ], [ 1.7040325787801738, 0.9815066106916626, 4.164756410218699 ], [ 4.7165405422771265, 5.2838675806379145, 3.270080813271354 ], [ 2.6394187712198263, 8.915313199308336, 9.367830379781301 ], [ 5.091514659671332, 1.9717316300367373, 5.572000732273406 ], [ 3.9231979556292944, 0.6512136682860673, 2.896801926714288 ], [ 3.026405013732577, 5.570851921828707, 5.210687967057712 ], [ 1.0738222220771279, 6.474359724549417, 6.828775945216641 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}]
[ "Li", "Li", "Sb", "Sb", "P", "P", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2013-10-15 15:35:08
[ 0.05555555555555555, 0.6666666666666666, 0.2222222222222222, 0.05555555555555555 ]
[]
-246.567948
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[]
0
1.695289
pbe
true
ab8871d3abdf6ade331539aab26f32b9_12_Li2Sb2P8O24
[ "Li", "O", "P", "Sb" ]
40
A12B3C3D2
Li3O12P3Sb2
Li6 O24 P6 Sb4
4
[ 1, 1, 1 ]
3
[ [ 8.49865694, -0.70320726, -0.48993529 ], [ 3.9092196, 7.54158725, -0.46538723 ], [ 3.9092196, 2.17604379, 7.23581131 ] ]
mp-774523
[ [ 7.902791460351102, 9.641439729794724, 6.754588713351718 ], [ 8.328602505, 1.318087121710099, 2.163251730832799 ], [ 8.074195809648899, 4.54846143980789, 3.206231891840396 ], [ 7.988493635, 7.740213014346009, 4.054261047190249 ], [ 9.785583089334738, 3.2964547593843476, 5.833795827464571 ], [ 10.780841520665263, 4.731061651182167, 1.1135808018970623 ], [ 2.5061881355709694, 1.406024128795168, 0.9037858154263736 ], [ 5.652359934429031, 3.172306161826921, 2.1343818883454153 ], [ 10.726514005216172, 5.953411920197101, 4.1369389793926405 ], [ 13.749130204783826, 7.578444466228984, 5.269124346532484 ], [ 5.301882750783876, 6.473467468412426, 2.556620382178481 ], [ 6.765884919216124, 2.0423629672550123, 5.189129159429277 ], [ 8.328602505, 2.8003079860699174, 0.035810728506937395 ], [ 7.988493635, 6.220496283590977, 6.235520104237236 ], [ 9.64318739226842, 7.094900974864489, 1.109568110743918 ], [ 10.92323721773158, 2.481320158864923, 3.614942812314554 ], [ 3.8498307719612326, 3.3451928671115856, 3.6265436820407264 ], [ 5.109717036692097, 4.216262813611356, 0.09952455015941218 ], [ 5.28222418044042, 7.261749983645904, 1.1949265035194303 ], [ 6.617300633424046, 0.7196023541901938, 1.9802088010323575 ], [ 6.174048715285814, 5.156633430382228, 2.4598836521396 ], [ 6.003857322119552, 7.31470265480022, 3.6428270608279236 ], [ 5.893718954714187, 2.589296891183718, 6.390908403589225 ], [ 6.78554348955958, 3.046653578842503, 3.977931466147378 ], [ 7.721034968546825, 3.17433863840393, 1.4442532990610897 ], [ 6.958050633307903, 5.129264947389934, 6.455355160994498 ], [ 7.303974042665939, 7.661078242628757, 6.027226125052351 ], [ 8.217936898038769, 7.487956446019185, 0.7931433853968844 ], [ 8.236780918767465, 1.9059956852225919, 5.630651273143567 ], [ 8.936170041453176, 1.3495063363918471, 0.17286439602824727 ], [ 9.430510457717196, 3.8397251680352396, -0.2252755809892732 ], [ 8.67301322733406, 5.916834888368629, 4.811984791305755 ], [ 9.615272866540607, 5.985092729278991, 2.2617037298441995 ], [ 10.387332446798293, 6.377754910738879, -0.1134469675821742 ], [ 10.039904376575954, 1.697126956502941, 2.661265363624817 ], [ 10.179092163201707, 3.877041192488708, 3.863994935473401 ], [ 9.973129947880448, 8.273578094576903, 4.31089046926856 ], [ 10.951151743459393, 1.7849966029614666, 5.0551596168538175 ], [ 11.135914152282805, 4.8611881406579425, 6.206121373846674 ], [ 12.329643691232535, 5.403319983318653, 2.3475634338788764 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}]
[ "Li", "Li", "Li", "Li", "Li", "Li", "Sb", "Sb", "Sb", "Sb", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2014-02-20 04:58:50
[ 0.15, 0.6, 0.15, 0.1 ]
[]
-259.968932
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[]
0
3.170152
pbe
true
7d665ae91cb0d541714a05564b201e98_5_Li6Sb4P6O24
[ "Li", "O", "P", "Sb" ]
48
A14B5C4D
Li5O14P4Sb
Li10 O28 P8 Sb2
4
[ 1, 1, 1 ]
3
[ [ 8.56473417, -0.40802481, -0.2023566 ], [ -1.68481184, 9.72160824, -0.03878794 ], [ -2.40482983, 1.28113958, 6.72016288 ] ]
mp-761952
[ [ -1.2312072722940444, 7.806134498907682, 4.384894634003158 ], [ -0.1881023015922212, 4.787964616723224, 4.5392070800509225 ], [ 0.14440303960591108, 8.964672494408129, 1.5747013142209674 ], [ 0.18730404980083729, 9.400703418143607, 6.372279989188821 ], [ 1.7276402926438121, 6.767126070891073, 3.5984445991725185 ], [ 2.747450522544347, 3.827606660717168, 2.8805737020395417 ], [ 4.287788450199162, 1.1940195918563925, 0.10673835081117881 ], [ 4.330689460394089, 1.6300505155918696, 4.904317025779033 ], [ 4.66319480159222, 5.806758393276777, 1.9398112599490775 ], [ 5.7062997722940425, 2.788588511092319, 2.094123705996842 ], [ 0.5569858701618596, 2.4353793802020385, 0.7960675585611254 ], [ 3.9181066298381393, 8.159343629797961, 5.682950781438874 ], [ -0.8390650522797436, 1.379608376122859, 5.597594886410309 ], [ -0.8156886839445116, 5.681167492538215, 2.040497667684998 ], [ 1.4212661434948268, 1.156433325899906, 3.856989080393818 ], [ 1.8509724783731862, 5.56271562301189, 0.7301907832193997 ], [ 2.6241200216268132, 5.032007386988111, 5.748827556780601 ], [ 3.0538263565051715, 9.438289684100095, 2.6220292596061823 ], [ 5.290781183944511, 4.913555517461785, 4.438520672315002 ], [ 5.3141575522797435, 9.21511463387714, 0.8814234535896914 ], [ -2.0211790917186128, 4.662015782378227, 5.240685639092579 ], [ -1.9738738781931715, 9.80549379597764, 6.130159146487017 ], [ -1.7574580939342406, 9.591908183832237, 1.330397989903042 ], [ -0.9380676031656957, 4.172511239963204, 2.2799223246593106 ], [ -0.36769412110796057, 2.60036212773714, 6.506702239371152 ], [ -0.25795512121144754, 6.40370164098165, 3.283439531378485 ], [ -0.11212656988058611, 1.6515983515898722, 4.179588198131327 ], [ -0.1675231414689705, 7.447962821154592, 6.118218802104427 ], [ -0.24067998625302248, 9.388650960682092, 3.5291827804200073 ], [ 0.2821569556026932, 5.938839770654041, 0.8648732408467287 ], [ 1.7413992645498717, 2.0465553787118584, 2.6067491993352423 ], [ 1.9306129044655451, 3.99632534211189, 0.8065176579664646 ], [ 2.279867868431077, 1.531691580132303, 5.065108020971832 ], [ 1.8336506209357222, 4.545364674825039, 4.533502792949051 ], [ 2.6414418790642777, 6.049358335174961, 1.945515547050949 ], [ 2.1952246315689226, 9.063031429867697, 1.4139103190281685 ], [ 2.5444795955344537, 6.5983976678881096, 5.672500682033536 ], [ 2.7336932354501267, 8.548167631288141, 3.872269140664758 ], [ 4.192935544397305, 4.655883239345959, 5.614145099153272 ], [ 4.715772486253022, 1.2060720493179087, 2.9498355595799928 ], [ 4.64261564146897, 3.1467601888454086, 0.360799537895573 ], [ 4.587219069880586, 8.943124658410127, 2.2994301418686725 ], [ 4.733047621211447, 4.19102136901835, 3.1955788086215153 ], [ 4.84278662110796, 7.9943608822628605, -0.027683899371151798 ], [ 5.413160103165694, 6.422211770036797, 4.1990960153406895 ], [ 6.232550593934241, 1.002814826167763, 5.148620350096958 ], [ 6.448966378193171, 0.7892292140223609, 0.3488591935129838 ], [ 6.496271591718612, 5.932707227621772, 1.2383327009074212 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}]
[ "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Sb", "Sb", "P", "P", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2014-02-12 12:32:56
[ 0.20833333333333334, 0.5833333333333334, 0.16666666666666666, 0.041666666666666664 ]
[]
-314.105085
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[]
0
1.873597
pbe
true
42917671fb8a1b43f8ea519e4a2e9933_2_Li10Sb2P8O28
[ "Cd", "Li", "Zn" ]
3
ABC
CdLiZn
Li1 Zn1 Cd1
3
[ 1, 1, 1 ]
3
[ [ 4.62219446, 0, 0 ], [ -2.31109723, 4.00293783, 0 ], [ 0, 0, 2.86034958 ] ]
agm003159236
[ [ -2.3110972377426223e-8, 2.6686252333431257, 2.0197856853853664 ], [ 2.311097253110973, 1.3343125966568736, 1.0098739071784637 ], [ 0, 0, 2.691039567436169 ] ]
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Zn", "Li", "Cd" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 4.2682037, 0, 0 ], [ 0, 4.2682037, 0 ], [ 0, 0, 4.287336 ] ]
-4.537316
[ 0, 0, 0 ]
[ [ 0, 0, -0.00327826 ], [ 0, 0, 0.0010227 ], [ 0, 0, 0.00225556 ] ]
-0.000004
1.08954
pbe
true
12be0310d6a947be01c49bf1ea9dec0f_156_Li1Zn1Cd1
[ "Ge", "Sc", "Ta" ]
5
A3BC
Ge3ScTa
Sc1 Ta1 Ge3
3
[ 1, 1, 1 ]
3
[ [ 4.87803488, 0, 0 ], [ 0, 4.87803488, 0 ], [ 0, 0, 4.87803488 ] ]
agm002592024
[ [ 0, 0, 0 ], [ 0, 2.43901744, 0 ], [ 0, 0, 2.43901744 ], [ 2.43901744, 0, 0 ], [ 2.43901744, 2.43901744, 2.43901744 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}]
[ "Sc", "Ge", "Ge", "Ge", "Ta" ]
2023-11-16 06:57:59
[ 0.6, 0.2, 0.2 ]
[ [ 2.5043795, 0, 0 ], [ 0, 2.5043795, 0 ], [ 0, 0, 2.5043795 ] ]
-26.247833
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000014
2.953443
pbe
true
b9811d28585c93ae3fad6b8c08e5b855_221_Sc1Ta1Ge3
[ "Li", "O", "P", "Sb" ]
88
A7B2CD
LiO7P2Sb
Li8 O56 P16 Sb8
4
[ 1, 1, 1 ]
3
[ [ -8.42532359, 0, -0.18354382 ], [ 0.1510431, 0, 8.53093574 ], [ 0, 16.88506996, 0 ] ]
mp-849265
[ [ -6.682724162358331, 15.992876371369567, 6.178051825951835 ], [ -6.75824571235833, 9.334728568630432, 1.9125839559518345 ], [ -5.442727617330286, 4.257136781817427, 5.787025975681694 ], [ -5.5182491673302865, 4.185398198182573, 1.5215581056816947 ], [ -2.7559979234615533, 12.699637991677507, 6.825817486622105 ], [ -2.831519473461553, 12.627966948322491, 2.5603496166221054 ], [ -1.51602650336118, 7.550324506299607, 6.434799616656245 ], [ -1.5915480533611799, 0.8922104737003919, 2.1693317466562454 ], [ -7.016750115622322, 6.329501191155885, 8.064245405074848 ], [ -7.092271665622323, 2.1130337888441146, 3.798777535074847 ], [ -5.309800985711698, 10.71962495282897, 4.496075088507295 ], [ -5.3853225357116985, 14.607979987171028, 0.2306072185072946 ], [ -2.888957954288302, 2.277089972828972, 8.116784701492705 ], [ -2.964479504288302, 6.165445007171027, 3.8513168314927055 ], [ -1.1820088243776772, 14.772036171155884, 4.548614384925153 ], [ -1.2575303743776771, 10.555568768844115, 0.283146514925153 ], [ -8.09488482642819, 5.4489655613779355, 4.765922498959631 ], [ -8.170406376428192, 2.9935694186220636, 0.500454628959631 ], [ -6.224078516535992, 9.687114237771844, 7.684509310314384 ], [ -6.299600066535992, 15.640490702228155, 3.419041440314384 ], [ -6.155189646422683, 1.4146399414851791, 7.224351463912199 ], [ -6.230711196422684, 7.02789503851482, 2.958883593912199 ], [ -4.49768292759698, 13.861833304607515, 5.015653279208137 ], [ -4.57320447759698, 11.465771635392484, 0.750185409208137 ], [ -3.7010760124030195, 5.419298324607516, 7.597206510791863 ], [ -3.7765975624030195, 3.023236655392483, 3.331738640791863 ], [ -2.0435692935773164, 9.857174921485178, 5.388508326087801 ], [ -2.119090843577317, 15.47043001851482, 1.1230404560878016 ], [ -1.9746804234640076, 1.2445792577718455, 4.928350479685617 ], [ -2.0502019734640076, 7.197955722228154, 0.662882609685616 ], [ -0.10387411357180988, 13.891500541377937, 7.84693729104037 ], [ -0.1793956635718099, 11.436104398622062, 3.581469421040369 ], [ -8.098723139050149, 4.101174456117895, 4.063207982102799 ], [ -8.023201589050148, 4.341360523882104, 8.3286758521028 ], [ -7.557851802157166, 15.538900834560316, 4.313412280655624 ], [ -7.633373352157166, 9.788704105439683, 0.047944410655622806 ], [ -7.483990775130308, 1.8404194376696261, 8.042968110342679 ], [ -7.559512325130308, 6.602115542330374, 3.7775002403426785 ], [ -7.117047095415442, 5.425285601564633, 5.9560927879117 ], [ -7.1925686454154425, 3.0172493784353667, 1.6906249179117 ], [ -7.11023206908556, 14.41691562723305, 7.3389686639027785 ], [ -7.18575361908556, 10.910689312766948, 3.0735007939027774 ], [ -6.748546768715266, 1.1397125045768703, 5.81732628245147 ], [ -6.824068318715265, 7.302822475423129, 1.55185841245147 ], [ -6.144316807703164, 10.71279527973155, 6.543008003947228 ], [ -6.219838357703164, 14.614809660268449, 2.277540133947228 ], [ -5.950680238477719, 8.261685243134325, 7.235557225647282 ], [ -6.026201788477719, 0.1808497368656748, 2.970089355647282 ], [ -5.658881292470361, 0.09297814428683879, 7.778447434375782 ], [ -5.734402842470361, 8.34955683571316, 3.5129795643757813 ], [ -5.538538428640612, 12.75370634959922, 4.7008421507096445 ], [ -5.614059978640612, 12.573898590400779, 0.43537428070964485 ], [ -5.13916168418203, 2.5809739539130843, 7.242741346773867 ], [ -5.214683234182029, 5.861561026086916, 2.9772734767738664 ], [ -5.170209130580199, 15.266387456104187, 4.572094802054233 ], [ -5.112349498317124, 5.217915836118383, -0.0772349886335942 ], [ -5.245730680580199, 10.061217483895811, 0.3066269320542328 ], [ -5.036827948317124, 3.2246191438816165, 4.188232881366406 ], [ -4.177057008656222, 13.986323041856505, 6.497244524067727 ], [ -4.252578558656222, 11.341281898143494, 2.231776654067727 ], [ -4.021701931343777, 5.543788061856506, 6.115615265932274 ], [ -4.097223481343778, 2.8987469181434937, 1.8501473959322732 ], [ -3.2374523906397763, 13.660450816118383, 4.159167569569335 ], [ -3.028549809419801, 6.8238524761041885, 8.040764987945767 ], [ -3.1619309916828766, 11.667154123881616, 8.424626908633595 ], [ -3.104071359419801, 1.618682503895811, 3.7752971179457675 ], [ -3.059597255817969, 11.023508933913085, 5.370118443226134 ], [ -3.135118805817969, 14.304096006086914, 1.1046505732261338 ], [ -2.660220511359387, 4.311171369599221, 7.912017639290355 ], [ -2.735742061359387, 4.131363610400778, 3.6465497692903557 ], [ -2.539877647529638, 8.535513124286839, 4.8344123556242184 ], [ -2.6153991975296385, 16.79209181571316, 0.5689444856242186 ], [ -2.2480787015222816, 16.704220223134325, 5.377302564352719 ], [ -2.3236002515222816, 8.623384716865676, 1.1118346943527182 ], [ -2.0544421322968356, 2.2702602997315515, 6.069851786052772 ], [ -2.1299636822968355, 6.172274680268448, 1.8043839160527722 ], [ -1.4502121712847345, 9.58224748457687, 6.795533507548531 ], [ -1.5257337212847344, 15.745357455423129, 2.5300656375485304 ], [ -1.0885268709144396, 5.974380647233051, 5.273891126097222 ], [ -1.1640484209144397, 2.4681543327669493, 1.0084232560972224 ], [ -1.0817118445845566, 13.867820581564633, 6.6567670020883005 ], [ -1.1572333945845565, 11.459784358435366, 2.3912991320883004 ], [ -0.714768164869691, 10.282954417669625, 4.569891679657323 ], [ -0.790289714869691, 15.044650522330373, 0.30442380965732163 ], [ -0.6409071378428336, 7.096365854560316, 8.299447509344377 ], [ -0.7164286878428335, 1.3461691254396835, 4.033979639344378 ], [ -0.25107890094985047, 12.543709436117894, 0.0187160678972014 ], [ -0.17555735094985048, 12.783895503882105, 4.284183937897201 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}]
[ "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Sb", "Sb", "Sb", "Sb", "Sb", "Sb", "Sb", "Sb", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2014-07-04 02:24:26
[ 0.09090909090909091, 0.6363636363636364, 0.18181818181818182, 0.09090909090909091 ]
[]
-588.009363
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[]
0
2.270151
pbe
true
36f7fc5cb16655a74a99c9a20d8d5591_14_Li8Sb8P16O56
[ "Li", "O", "P", "Sm" ]
36
A12B4CD
LiO12P4Sm
Li2 O24 P8 Sm2
4
[ 1, 1, 1 ]
3
[ [ 0, -7.13857856, 0 ], [ 6.68631148, -3.56928928, -4.89557678 ], [ 6.67818213, -3.56928928, 4.91928036 ] ]
mp-1199215
[ [ 6.684279142499999, -9.261915629667481, -2.441862495 ], [ 6.6802144675, -5.015241490332519, 2.465566075 ], [ 6.6802144675, -8.570255826171872, 2.465566075 ], [ 6.684279142499999, -5.706901293828128, -2.441862495 ], [ 11.519097099353374, -7.528385210959078, -0.21470001800870175 ], [ 8.527643315646625, -11.097674419573293, 0.25025538800870173 ], [ 1.8453965106466261, -6.748771909040921, 0.23840359800870226 ], [ 4.836850294353374, -3.179482700426707, -0.22655180800870234 ], [ 11.389128146586557, -11.817134846184537, 0.5141350069392381 ], [ 8.657612268413441, -8.247845637570324, -0.47857963693923766 ], [ 1.9753654634134414, -2.4600222738154627, -0.4904314269392378 ], [ 4.706881341586557, -6.0293114824296765, 0.5022832169392379 ], [ 11.845511445793463, -8.683711075563485, 0.6844368380614974 ], [ 8.201228969206536, -5.1144217955634845, -0.6488814680614969 ], [ 1.5189821642065373, -5.593446044436515, -0.6607332580614967 ], [ 5.163264640793463, -9.162735324436515, 0.6725850480614968 ], [ 11.237045215391753, -6.272688968691968, 0.7454965323022851 ], [ 8.809695199608246, -9.841978248691968, -0.7099411623022851 ], [ 2.1274483946082468, -8.004468151308032, -0.7217929523022855 ], [ 4.5547984103917525, -4.4351788713080325, 0.7336447423022856 ], [ 5.699209613605539, -7.7987444182974945, -3.3611905451406052 ], [ 7.669348671394461, -7.7987444182974945, -1.5225344448593945 ], [ 7.665283996394461, -6.4784127017025055, 3.384894125140605 ], [ 5.695144938605539, -6.478412701702506, 1.5462380248593945 ], [ 11.650064686273737, -11.532204943375735, -0.9318823812491552 ], [ 8.396675728726262, -7.962915591989949, 0.9674377512491552 ], [ 1.7144289237262615, -2.744952176624266, 0.9555859612491548 ], [ 4.967817881273738, -6.314241528010052, -0.9437341712491547 ], [ 5.794257982511633, -3.5963736895287104, 3.5725174287029997 ], [ 7.566170952488367, -10.73495224952871, 1.3586147212970006 ], [ 7.570235627488366, -10.68078343047129, -3.5488138487030003 ], [ 5.798322657511633, -3.5422048704712896, -1.334911141297 ], [ 10.100399448267877, -7.7381753281676415, -0.9501021350521386 ], [ 9.946340966732123, -11.307464679553426, 0.9856575050521394 ], [ 3.2640941617321224, -6.538981791832359, 0.9738057150521395 ], [ 3.4181526432678773, -2.9696924404465723, -0.9619539250521393 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}]
[ "Li", "Li", "Sm", "Sm", "P", "P", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2019-01-12 03:50:54
[ 0.05555555555555555, 0.6666666666666666, 0.2222222222222222, 0.05555555555555555 ]
[ [ 1.12911389, 0, -1.31337781 ], [ 0, 1.46689856, 0 ], [ -1.31337775, 0, -0.95746339 ] ]
-264.145631
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0.00867651, 0 ], [ 0, -0.00867651, 0 ], [ 0, -0.02304646, 0 ], [ 0, 0.02304646, 0 ], [ 0.02948243, -0.03621943, 0.04274506 ], [ -0.02948243, -0.03621943, -0.04274506 ], [ -0.02948243, 0.03621943, -0.04274506 ], [ 0.02948243, 0.03621943, 0.04274506 ], [ 0.07588277, 0.04513087, 0.11221815 ], [ -0.07588277, 0.04513087, -0.11221815 ], [ -0.07588277, -0.04513087, -0.11221815 ], [ 0.07588277, -0.04513087, 0.11221815 ], [ 0.04001462, 0.0433147, -0.00119305 ], [ -0.04001462, 0.0433147, 0.00119305 ], [ -0.04001462, -0.0433147, 0.00119305 ], [ 0.04001462, -0.0433147, -0.00119305 ], [ 0.01031582, 0.00686924, 0.01360422 ], [ -0.01031582, 0.00686924, -0.01360422 ], [ -0.01031582, -0.00686924, -0.01360422 ], [ 0.01031582, -0.00686924, 0.01360422 ], [ -0.03876019, -0.00592619, -0.06161009 ], [ 0.03876019, -0.00592619, 0.06161009 ], [ 0.03876019, 0.00592619, 0.06161009 ], [ -0.03876019, 0.00592619, -0.06161009 ], [ 0.02559452, 0.01344084, -0.04335356 ], [ -0.02559452, 0.01344084, 0.04335356 ], [ -0.02559452, -0.01344084, 0.04335356 ], [ 0.02559452, -0.01344084, -0.04335356 ], [ 0.00006107, -0.01346834, -0.01907304 ], [ -0.00006107, -0.01346834, 0.01907304 ], [ -0.00006107, 0.01346834, 0.01907304 ], [ 0.00006107, 0.01346834, -0.01907304 ], [ 0.01425176, 0.01104167, 0.03728788 ], [ -0.01425176, 0.01104167, -0.03728788 ], [ -0.01425176, -0.01104167, -0.03728788 ], [ 0.01425176, -0.01104167, 0.03728788 ] ]
0
0.515192
pbe
true
41e9968ea46c42060d746a07c6da2952_15_Li2Sm2P8O24
[ "Li", "O", "P", "Sn" ]
23
A14B4C3D2
Li2O14P4Sn3
Li2 O14 P4 Sn3
4
[ 1, 1, 1 ]
3
[ [ 6.25671213, 0.0061022, 0.87882639 ], [ 2.94924568, 6.5992711, 2.60628997 ], [ -0.00931768, 0.04683177, 8.02205162 ] ]
mp-26871
[ [ 4.3420156843949185, 0.2881960161938582, 6.271349994814353 ], [ 4.854624445605082, 6.364009053806141, 5.235817985185646 ], [ 1.722058998066986, 1.8926163810694776, 7.779709531574803 ], [ 2.148577267765338, 4.437336560932966, 6.408937855237545 ], [ 2.8605588787676433, 1.7352111834214468, 2.0573565759066104 ], [ 2.817072802605514, 6.0698885911019, 8.253804538458766 ], [ 3.4334743381333013, 3.6492961208226227, 8.502542100494662 ], [ 4.584644493465979, 1.5930956215866796, 4.775489875789679 ], [ 4.189906767634177, 1.2677382747940766, 7.973310444295251 ], [ 5.006733362365823, 5.384466795205924, 3.5338575357047493 ], [ 4.61199563653402, 5.05910944841332, 6.731678104210319 ], [ 5.763165791866698, 3.0029089491773773, 3.004625879505337 ], [ 6.379567327394486, 0.5823164788981016, 3.253363441541234 ], [ 6.3360812512323585, 4.916993886578553, 9.449811404093388 ], [ 7.048062862234663, 2.214868509067035, 5.098230124762455 ], [ 7.474581131933015, 4.759588688930522, 3.727458448425197 ], [ 3.252943623554485, 4.878936469960645, 7.405802716980823 ], [ 3.032141135732248, 2.0667136869717098, 8.573217140298858 ], [ 6.164498994267753, 4.58549138302829, 2.93395083970114 ], [ 5.943696506445515, 1.773268600039356, 4.101365263019177 ], [ 0, 0, 0 ], [ 2.7519439025804915, 3.147825962757221, 3.8260913997353865 ], [ 6.4446962274195085, 3.504379107242779, 7.681076580264612 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]
[ "Li", "Li", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "P", "P", "P", "P", "Sn", "Sn", "Sn" ]
2014-02-20 09:35:13
[ 0.08695652173913043, 0.6086956521739131, 0.17391304347826086, 0.13043478260869565 ]
[ [ 0.14191301, 0.02067922, 0.03267785 ], [ 0.0207038, 0.03253923, 0.38051477 ], [ 0.03270523, 0.38049139, 0.01039346 ] ]
-153.003993
[]
[ [ -0.00066835, -0.00522359, 0.0016691 ], [ 0.00066835, 0.00522359, -0.0016691 ], [ -0.01074651, 0.00874121, 0.01840251 ], [ -0.00051678, 0.00873111, 0.01114073 ], [ 0.01117042, -0.00608666, -0.00281491 ], [ -0.00054168, 0.00151119, 0.01341699 ], [ 0.00814517, -0.00270851, -0.00110361 ], [ -0.00153837, -0.00644316, -0.00132559 ], [ -0.00542562, -0.01319249, -0.00421321 ], [ 0.00542562, 0.01319249, 0.00421321 ], [ 0.00153837, 0.00644316, 0.00132559 ], [ -0.00814517, 0.00270851, 0.00110361 ], [ 0.00054168, -0.00151119, -0.01341699 ], [ -0.01117042, 0.00608666, 0.00281491 ], [ 0.00051678, -0.00873111, -0.01114073 ], [ 0.01074651, -0.00874121, -0.01840251 ], [ 0.00101637, -0.00519426, 0.00546391 ], [ 0.00008862, -0.00191507, 0.01775126 ], [ -0.00008862, 0.00191507, -0.01775126 ], [ -0.00101637, 0.00519426, -0.00546391 ], [ 0, 0, 0 ], [ -0.00259292, -0.01031775, -0.00850311 ], [ 0.00259292, 0.01031775, 0.00850311 ] ]
null
2.869732
pbe
true
b216640d58f352d54811fdd51a4cc927_2_Li2Sn3P4O14
[ "Li", "O", "P", "Sn" ]
24
A7B2C2D
Li2O7P2Sn
Li4 Sn2 P4 O14
4
[ 1, 1, 1 ]
3
[ [ 8.33396859, -0.00900013, -0.0241969 ], [ 6.68818824, 4.97224813, -0.0241969 ], [ 3.95746264, 1.30752652, 8.45889722 ] ]
agm003231228
[ [ 12.46272587061409, 3.296086439159923, 3.697382995556487 ], [ 13.95202026748135, 5.431217988515615, 7.926831605556488 ], [ 5.027599202518649, 0.8395565314843847, 0.4836718144435128 ], [ 6.516893599385909, 2.9746880808400764, 4.713120424443513 ], [ 9.489809735, 3.1353872599999995, 4.205251710000001 ], [ 7.511078415, 2.4816239999999996, -0.0241969 ], [ 10.47657386785495, 1.4022438026616313, 1.5018213648374545 ], [ 11.228543033008885, 5.769021894355793, 5.7312699748374545 ], [ 7.751076436991114, 0.5017526256442064, 2.679233445162546 ], [ 8.50304560214505, 4.868530717338368, 6.908682055162546 ], [ 3.1702078260567834, 0.47914572967496877, 0.9248528520150409 ], [ 4.810385011946143, 2.1576035617388727, 5.154301462015042 ], [ 9.78139417079108, 2.337750877147367, 0.48943303949567624 ], [ 11.033904817379838, 2.199201408305256, 2.701460755155198 ], [ 11.227534001535671, 4.6034974307529275, 4.7188816494956765 ], [ 12.150964646092207, 5.460967380616239, 6.930909365155198 ], [ 9.300025885793126, 0.38842842848224995, 2.090527405 ], [ 9.679593584206875, 5.88234609151775, 6.319976015000001 ], [ 6.828654823907791, 0.8098071393837606, 1.4795940548448026 ], [ 7.75208546846433, 1.6672770892470723, 3.691621770504324 ], [ 7.94571465262016, 4.071573111694744, 5.709042664844803 ], [ 9.198225299208922, 3.933023642852633, 7.921070380504324 ], [ 14.169234458053857, 4.1131709582611276, 3.2562019579849597 ], [ 15.809411643943218, 5.7916287903250305, 7.48565056798496 ] ]
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "Li", "Li", "Li", "Li", "Sn", "Sn", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.16666666666666666, 0.5833333333333334, 0.16666666666666666, 0.08333333333333333 ]
[ [ 0.37032363, -0.01707733, 0.00333387 ], [ -0.01707733, 0.41636893, 0.0011015 ], [ 0.00333388, 0.0011015, 0.42112976 ] ]
-156.609459
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ -0.00180779, -0.003371, -0.00040543 ], [ -0.00346025, 0.00163046, -0.00040543 ], [ 0.00346025, -0.00163046, 0.00040543 ], [ 0.00180779, 0.003371, 0.00040543 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00068576, 0.00115308, 0.00127777 ], [ 0.00013618, -0.00133466, 0.00127777 ], [ -0.00013618, 0.00133466, -0.00127777 ], [ 0.00068576, -0.00115308, -0.00127777 ], [ -0.00193788, -0.0011096, -0.00057399 ], [ -0.00221749, -0.00026332, -0.00057399 ], [ 0.00082245, -0.00222915, -0.00078833 ], [ -0.00197296, 0.00198049, 0.00033776 ], [ -0.00066747, 0.00228035, -0.00078833 ], [ -0.00040472, -0.00276606, 0.00033776 ], [ -0.00124978, 0.00378268, 0 ], [ 0.00124978, -0.00378268, 0 ], [ 0.00040472, 0.00276606, -0.00033776 ], [ 0.00066747, -0.00228035, 0.00078833 ], [ 0.00197296, -0.00198049, -0.00033776 ], [ -0.00082245, 0.00222915, 0.00078833 ], [ 0.00221749, 0.00026332, 0.00057399 ], [ 0.00193788, 0.0011096, 0.00057399 ] ]
0
0
pbe
true
ae3f7218b0aeb05b4436cb64be8bdc17_15_Li4Sn2P4O14
[ "Li", "O", "P", "Sn" ]
28
A18B6C3D
Li3O18P6Sn
Li3 O18 P6 Sn1
4
[ 1, 1, 1 ]
3
[ [ 6.89830009, 0.000661, -2.12323763 ], [ 1.89007351, 6.58912786, 3.05324898 ], [ 0.00025569, -0.00168133, 7.56785496 ] ]
mp-673096
[ [ 4.548182030145516, 3.2158531091868916, 0.6933662364491433 ], [ 7.093708733499768, 4.567625254277722, 1.3081170481052795 ], [ 2.1493244582987874, 4.185262334748139, 5.706631475023564 ], [ 1.038477407608137, 1.3657618783471768, 7.4537875212880405 ], [ 5.359257053533195, 0.0984071675516532, 0.7719738855202993 ], [ 2.281465988441333, 2.281647304369816, 3.038078949578235 ], [ 4.853084189027628, 5.167443698342319, 3.306570313982387 ], [ 6.5718077126700125, 4.455864831725034, 5.56484181738607 ], [ 3.56438615851517, 6.473349495280434, 7.587616550115308 ], [ 3.9521524859050365, 1.4916524138983753, 5.214440670200433 ], [ 5.411519086119361, 1.2788796720837412, 5.432882772656098 ], [ 3.2062617377905167, 0.0517244273964241, 5.040051147425102 ], [ 6.336275417827461, 4.220353136209162, 7.010520527148615 ], [ 2.461306947482986, 2.47389085864102, 1.5446436383413933 ], [ 8.073272011182572, 5.8115032781688845, 2.930769950351581 ], [ 5.597995772667534, 1.5486703840928193, 0.9552499563826726 ], [ 3.746521134081292, 2.109971032599875, 3.7238182518603455 ], [ 5.142740262527996, 4.517906044340507, 4.777946373667943 ], [ 5.691040629576725, 6.5339925102463585, 3.3752573643436734 ], [ 5.344168210272633, 4.260591364023284, 2.2270359242127555 ], [ 3.2986286772242455, 5.0522776147128505, 7.263779122659445 ], [ 3.1179327286964464, 2.2647626658646485, 6.229587295249114 ], [ 1.536508006631558, 3.2911751474126674, 3.837908041836327 ], [ 7.479181404050818, 3.4525864737004315, 4.817584111348207 ], [ 0.7481671919607947, 0.6175929768420165, 5.507564731232718 ], [ 7.1599250916462776, 5.924771768007532, 5.29836044692696 ], [ 1.6854704184381288, 0.7736505972513249, 3.182008802472018 ], [ 3.41823790053129, 5.652210612567887, 3.2450099619225683 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]
[ "Li", "Li", "Li", "Sn", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2013-10-16 10:27:01
[ 0.10714285714285714, 0.6428571428571429, 0.21428571428571427, 0.03571428571428571 ]
[]
-189.35311
[ 0, 0.001, 0, 0.384, 0, 0.002, 0.003, 0.002, 0.003, 0.008, 0.032, 0.003, 0, 0.094, 0.005, 0.002, 0.004, 0.003, 0, 0.013, 0.008, 0.025, 0.008, 0.083, 0.061, 0.01, 0.005, 0.101 ]
[]
0.86
2.135388
pbe
true
d41aba8aa6e4248b82c64c4e8980c123_1_Li3Sn1P6O18
[ "Li", "O", "P", "Sn" ]
28
A4BCD
LiO4PSn
Li4 O16 P4 Sn4
4
[ 1, 1, 1 ]
3
[ [ 5.72631142, 0, 0.65836059 ], [ 0, 10.00729779, 0 ], [ 0.20229848, 0, 7.7172547 ] ]
mp-26299
[ [ 1.3848307484234876, 3.3302591808874378, 7.882197228893337 ], [ 1.7817726815765125, 8.333908075887438, 4.022865116106662 ], [ 4.146837218423488, 1.6733897141125629, 4.352750173893337 ], [ 4.543779151576512, 6.677038609112563, 0.4934180611066626 ], [ 0.4320844944426236, 8.700729779444961, 2.728944393871417 ], [ 0.9061971120679508, 6.715123382311966, 6.867545111098255 ], [ 0.9381745821274157, 1.3384054278901028, 7.214844547231848 ], [ 1.4039491147892247, 9.40746946710839, 5.679137017135625 ], [ 1.7626543152107754, 4.40382057210839, 6.225925327864374 ], [ 2.2284288478725847, 6.342054322890103, 4.6902177977681525 ], [ 2.2604063179320493, 1.7114744873119658, 5.037517233901745 ], [ 2.532220455557376, 3.6970808844449596, 1.4588632511285833 ], [ 3.396389444442624, 6.310216905555041, 6.916752038871417 ], [ 3.6682035820679513, 8.295823302688035, 3.338098056098255 ], [ 3.7001810521274154, 3.665243467109898, 3.685397492231848 ], [ 4.1659555847892245, 5.603477217891611, 2.149689962135626 ], [ 4.524660785210775, 0.5998283228916111, 2.6964782728643746 ], [ 4.990435317872585, 8.668892362109899, 1.1607707427681522 ], [ 5.0224127879320495, 3.2921744076880346, 1.508070178901745 ], [ 5.496525405557376, 1.3065680105550408, 5.646670896128583 ], [ 1.0732466666256992, 0.9254945139228685, 5.685583613278024 ], [ 2.0933567633743007, 5.929143408922869, 6.219478731721976 ], [ 3.8352531366256994, 4.078154381077132, 2.1561365582780243 ], [ 4.855363233374301, 9.081803276077133, 2.6900316767219756 ], [ 1.4730197008216181, 8.593242594758305, 0.0445191369171421 ], [ 1.491285249178382, 3.5895936997583044, 4.143288508082858 ], [ 4.437324650821618, 6.417704090241697, 4.232326781917142 ], [ 4.455590199178382, 1.414055195241696, 8.331096153082857 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]
[ "Li", "Li", "Li", "Li", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "P", "P", "P", "P", "Sn", "Sn", "Sn", "Sn" ]
2014-02-23 05:10:30
[ 0.14285714285714285, 0.5714285714285714, 0.14285714285714285, 0.14285714285714285 ]
[ [ 0.00002861, 0, 0.19806389 ], [ 0, -0.02268246, 0 ], [ 0.19803691, 0, 0.17764583 ] ]
-182.168624
[]
[ [ -0.00175507, -0.00478159, 0.00446402 ], [ 0.00175507, -0.00478159, -0.00446402 ], [ -0.00175507, 0.00478159, 0.00446402 ], [ 0.00175507, 0.00478159, -0.00446402 ], [ 0.01043907, -0.01081087, -0.00708981 ], [ 0.01304364, 0.00764538, -0.00271735 ], [ -0.00382009, -0.00678703, -0.00180023 ], [ -0.00557841, 0.00173953, -0.0131449 ], [ 0.00557841, 0.00173953, 0.0131449 ], [ 0.00382009, -0.00678703, 0.00180023 ], [ -0.01304364, 0.00764538, 0.00271735 ], [ -0.01043907, -0.01081087, 0.00708981 ], [ 0.01043907, 0.01081087, -0.00708981 ], [ 0.01304364, -0.00764538, -0.00271735 ], [ -0.00382009, 0.00678703, -0.00180023 ], [ -0.00557841, -0.00173953, -0.0131449 ], [ 0.00557841, -0.00173953, 0.0131449 ], [ 0.00382009, 0.00678703, 0.00180023 ], [ -0.01304364, -0.00764538, 0.00271735 ], [ -0.01043907, 0.01081087, 0.00708981 ], [ 0.00231455, 0.01256398, -0.00711657 ], [ -0.00231455, 0.01256398, 0.00711657 ], [ 0.00231455, -0.01256398, -0.00711657 ], [ -0.00231455, -0.01256398, 0.00711657 ], [ 0.00025779, 0.0122936, -0.01263569 ], [ -0.00025779, 0.0122936, 0.01263569 ], [ 0.00025779, -0.0122936, -0.01263569 ], [ -0.00025779, -0.0122936, 0.01263569 ] ]
null
1.496932
pbe
true
6a015816d88518a7bf3ecaa104f8f73d_14_Li4Sn4P4O16
[ "Cd", "Pt", "Zn" ]
4
A2BC
Cd2PtZn
Zn1 Cd2 Pt1
3
[ 1, 1, 1 ]
3
[ [ 9.62790641, 0.0624069, 0.03667606 ], [ 9.14401102, 3.01455452, 0.03667606 ], [ 9.14401102, 1.49882233, 2.61580115 ] ]
agm004372890
[ [ 27.850314014293268, 4.565028690600488, 2.6828326034795937 ], [ 14.023578660706734, 2.2986469343995126, 1.350897301520406 ], [ 6.978982112500001, 1.1439459375, 0.6722883175 ], [ 20.9369463375, 3.4318378125, 2.0168649524999998 ] ]
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Cd", "Cd", "Pt", "Zn" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 7.1048903, 0.0042741, 0.00251186 ], [ 0.0042741, 7.0795155, 0.00041173 ], [ 0.00251186, 0.00041173, 7.079057 ] ]
-9.239122
[ 0, 0, 0, 0 ]
[ [ -0.00624505, -0.00102365, -0.00060159 ], [ 0.00624505, 0.00102365, 0.00060159 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
1.954897
pbe
true
1a188e536a2912406f0481cafeca0a53_166_Zn1Cd2Pt1
[ "Cd", "Re", "Tc" ]
4
A2BC
Cd2ReTc
Cd2 Re1 Tc1
3
[ 1, 1, 1 ]
3
[ [ 5.03111948, 0, 0 ], [ 0, 5.03111948, 0 ], [ 0, 0, 2.75637016 ] ]
agm004359016
[ [ 0, 0, 0 ], [ 2.51555974, 2.51555974, 0 ], [ 2.51555974, 0, 1.37818508 ], [ 0, 2.51555974, 1.37818508 ] ]
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}]
[ "Cd", "Cd", "Re", "Tc" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 7.1666923, 0, 0 ], [ 0, 7.1666923, 0 ], [ 0, 0, 7.777145 ] ]
-20.978059
[ 0.003, 0.003, 0.294, 0.496 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.850613
3.901414
pbe
true
a092b51442b8aa59a3830a6c7d52f1be_123_Cd2Re1Tc1
[ "Li", "O", "P", "Sn" ]
36
A12B4CD
LiO12P4Sn
Li2 O24 P8 Sn2
4
[ 1, 1, 1 ]
3
[ [ 0, 7.16227774, 0 ], [ -8.19448002, 3.58113937, -0.00682706 ], [ 2.5631006, -3.58113937, 7.8044092 ] ]
mp-765286
[ [ -4.2235345650000005, 2.118355516383299, 5.848186605 ], [ -1.407844855, 5.043922223616701, 1.949395535 ], [ -4.2235345650000005, 5.771994972543112, 5.848186605 ], [ -1.407844855, 1.3902827674568867, 1.949395535 ], [ -6.900118910260878, 9.668288957954385, 1.4837083444170782 ], [ -6.607411536470621, 6.779889250999303, 0.9133164498400262 ], [ -4.4027581935293805, 3.1987501556034434, 2.978647560159974 ], [ -4.110050819739122, 6.087149877099465, 2.408255665582922 ], [ -1.5213286002608781, 1.0751278629005345, 5.389326474417078 ], [ -1.2286212264706209, 3.963527584396558, 4.818934579840026 ], [ 0.9760321164706206, 0.38238848900069733, 6.884265690159975 ], [ 1.2687394902608777, -2.506011217954385, 6.313873795582922 ], [ -7.378636265802473, 5.61711726088298, 1.4768720995747595 ], [ -6.9549870825768645, 8.081174540467423, 1.7921997266976823 ], [ -6.235490921839212, 2.7744061346730913, 0.1534111352457406 ], [ -5.988502684584981, 3.031077726482119, 2.682920970043763 ], [ -5.512737174487387, 0.6197666087402334, 6.065616771151351 ], [ -5.02166704541502, 6.612209368532792, 1.209043039956237 ], [ -4.774678808160789, 6.355544757704993, 3.738552874754259 ], [ -4.299722181809393, 3.4879861369582477, 4.452459492487905 ], [ -4.147346948190607, 3.487993095387171, 7.243913717512095 ], [ -4.055182647423136, 4.500035408469606, 2.0997642833023176 ], [ -3.631533464197528, 2.0359781210659595, 2.4150919104252404 ], [ -2.9343319555126137, 0.6197593083823831, 5.630756438848649 ], [ -2.697047464487386, 6.542518431617617, 2.1668257011513514 ], [ -1.9998459558024728, 5.126299618934041, 5.38249022957476 ], [ -1.5761967725768649, 2.6622423315303947, 5.697817856697682 ], [ -1.4840324718093931, 3.67428464461283, 0.5536684224879049 ], [ -1.3316572381906069, 3.674291603041752, 3.3451226475120954 ], [ -0.856700611839212, 0.8067329822950089, 4.059029265245741 ], [ -0.6097123745849813, 0.5500683714672083, 6.588539100043763 ], [ -0.11864224551261393, 6.542511131259767, 1.7319653688486485 ], [ 0.35712326458498084, 4.131200013517881, 5.114661169956237 ], [ 0.6041115018392116, 4.387871605326909, 7.64417100475426 ], [ 1.3236076625768642, -0.918896800467423, 6.005382413302318 ], [ 1.747256845802472, 1.5451604791170206, 6.320710040425241 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]
[ "Li", "Li", "Sn", "Sn", "P", "P", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2014-02-15 11:46:28
[ 0.05555555555555555, 0.6666666666666666, 0.2222222222222222, 0.05555555555555555 ]
[]
-247.043502
[ 0, 0, 0.005, 0.005, 0, 0, 0, 0, 0, 0, 0, 0, 0.001, 0, 0.001, 0, 0, 0, 0.001, 0, 0, 0, 0.001, 0, 0, 0.001, 0, 0, 0, 0.001, 0, 0, 0, 0.001, 0, 0.001 ]
[]
0.018
3.141088
pbe
true
df9e6a660d41b1ca31bf698d5b04e15e_15_Li2Sn2P8O24
[ "Li", "O", "P", "Sn" ]
36
A12B4CD
LiO12P4Sn
Li2 O24 P8 Sn2
4
[ 1, 1, 1 ]
3
[ [ 6.2781439, 4.33604901, -0.09881756 ], [ -6.2781439, 4.33604901, 0.09881756 ], [ 1.0831875, 4.33604901, 9.22105552 ] ]
mp-1176593
[ [ -3.896217299999999, 8.658361763620242, 6.9899048100000005 ], [ 4.9794048, 4.34978526637976, 2.23115071 ], [ -3.13907195, 2.168024505, 0.04940878 ], [ 0.54159375, 2.168024505, 4.61052776 ], [ 2.3141422116556165, 8.61472714850183, 2.8346288783529294 ], [ -2.373283450020831, 6.366252674182541, 4.441476662168264 ], [ -0.22418853461670818, 6.366248381494022, 0.2184597800023524 ], [ -0.28333598834438356, 8.729468891498172, 7.494565418352931 ], [ 1.366523488344384, 4.278678138501829, 1.7264901016470704 ], [ 1.307376034616708, 6.641898648505979, 9.002595739997648 ], [ 3.4564709500208313, 6.641894355817459, 4.779578857831736 ], [ -1.2309547116556159, 4.393419881498171, 6.38642664164707 ], [ -3.7043827047019335, 3.7297622146309632, 1.5655409483805791 ], [ -3.5866059323390926, 6.550139439519299, 5.35504777013413 ], [ -2.7573022495355954, 5.261667473468225, 3.299874841026167 ], [ -1.7203405002070078, 7.512789062347627, 3.7948280996646844 ], [ -1.6200989741044098, 8.012519057634048, 7.670940275482491 ], [ -1.2515180931446181, 5.54274968251697, 5.269557561741954 ], [ -0.9891277951205308, 2.121958623841191, 0.6951112311223052 ], [ -0.8771376997929923, 7.512789062347626, 0.8651084403353155 ], [ -0.2627726068553826, 9.87879860579599, 8.611434498258046 ], [ -0.023717067483371324, 9.278384772008547, 6.126659929368755 ], [ 0.15982404953559562, 5.261667473468226, 1.3600616989738332 ], [ 0.10580199596050988, 3.6764657115850383, 6.210051883335069 ], [ 0.9773855040394891, 9.331681318414962, 3.01100363666493 ], [ 0.9233634504644038, 7.746479556531774, 7.860993821026167 ], [ 1.1069045674833717, 3.729762257991453, 3.0943955906312453 ], [ 1.3459601068553817, 3.1293484242040104, 0.6096210217419541 ], [ 1.9603251997929918, 5.495357967652373, 8.355947079664682 ], [ 2.0723152951205313, 10.886188406158809, 8.525944288877694 ], [ 2.3347055931446183, 7.46539734748303, 3.951497958258046 ], [ 2.7032864741044107, 4.995627972365953, 1.5501152445175097 ], [ 2.8035280002070078, 5.495357967652373, 5.426227420335316 ], [ 3.8404897495355965, 7.746479556531775, 5.921180678973833 ], [ 4.669793432339092, 6.458007590480701, 3.8660077498658705 ], [ 4.787570204701933, 9.278384815369037, 7.65551457161942 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]
[ "Li", "Li", "Sn", "Sn", "P", "P", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2019-01-11 06:16:44
[ 0.05555555555555555, 0.6666666666666666, 0.2222222222222222, 0.05555555555555555 ]
[ [ -1.76927512, 0, 0.44166276 ], [ 0, 1.25077729, 0 ], [ 0.44166218, 0, 0.75823207 ] ]
-247.120432
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0.03682955, 0 ], [ 0, -0.03682955, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.04552333, 0.01985781, 0.07364189 ], [ -0.04154135, -0.11671815, 0.0371331 ], [ 0.04154135, -0.11671815, -0.0371331 ], [ -0.04552333, -0.01985781, 0.07364189 ], [ 0.04552333, 0.01985781, -0.07364189 ], [ -0.04154135, 0.11671815, 0.0371331 ], [ 0.04154135, 0.11671815, -0.0371331 ], [ 0.04552333, -0.01985781, -0.07364189 ], [ -0.01612997, -0.04486461, -0.09397626 ], [ 0.0119133, -0.01398883, 0.00125901 ], [ 0.03641095, -0.01759783, -0.0372779 ], [ 0.00280661, 0.08624152, -0.04129332 ], [ 0.00953685, 0.04899717, -0.02935989 ], [ 0.02693531, 0.06607089, 0.00500155 ], [ 0.0119133, 0.01398883, 0.00125901 ], [ -0.00280661, 0.08624152, 0.04129332 ], [ -0.02693531, 0.06607089, -0.00500155 ], [ -0.01612997, 0.04486461, -0.09397626 ], [ -0.03641095, -0.01759783, 0.0372779 ], [ -0.00953685, 0.04899717, 0.02935989 ], [ 0.00953685, -0.04899717, -0.02935989 ], [ 0.03641095, 0.01759783, -0.0372779 ], [ 0.01612997, -0.04486461, 0.09397626 ], [ 0.02693531, -0.06607089, 0.00500155 ], [ 0.00280661, -0.08624152, -0.04129332 ], [ -0.0119133, -0.01398883, -0.00125901 ], [ -0.02693531, -0.06607089, -0.00500155 ], [ -0.00953685, -0.04899717, 0.02935989 ], [ -0.00280661, -0.08624152, 0.04129332 ], [ -0.03641095, 0.01759783, 0.0372779 ], [ -0.0119133, 0.01398883, -0.00125901 ], [ 0.01612997, 0.04486461, 0.09397626 ] ]
0
2.948836
pbe
true
73f23af3444aded2c636bcd7f908ac25_15_Li2Sn2P8O24
[ "Li", "O", "P", "Sn" ]
46
A14B4C3D2
Li2O14P4Sn3
Li4 O28 P8 Sn6
4
[ 1, 1, 1 ]
3
[ [ 5.99667762, 0.21466361, -0.18875337 ], [ 2.41615587, 6.88261213, -0.22229475 ], [ 1.95412889, 1.99373605, 16.08365607 ] ]
mp-757547
[ [ 3.04113665437857, 3.08977385715363, 15.917557067488737 ], [ 3.6378377162455284, 4.912533710131281, 1.4075679979052393 ], [ 6.729124663754471, 4.178478079868718, 14.26503995209476 ], [ 7.32582572562143, 6.0012379328463705, -0.2449491174887367 ], [ 2.6521246449757765, 3.113288668563189, 9.259086385692541 ], [ 3.667672283088524, 5.874013876021849, 13.077202716189525 ], [ 4.609333255267288, 7.403361905482881, 4.980581925624558 ], [ 5.757629124732711, 1.6876498845171188, 10.692026024375442 ], [ 6.699290096911476, 3.216997913978151, 2.595405233810475 ], [ 7.714837735024223, 5.977723121436811, 6.413521564307459 ], [ 2.7913436340907243, 2.210595411961619, 12.972883126241237 ], [ 4.028005049969174, 3.807168490690498, 5.035014993949215 ], [ 3.9687681997326094, 1.8566220715693462, 0.9286627823684082 ], [ 4.578486352721842, 6.651396611784259, 8.507057033299072 ], [ 5.788476027278158, 2.4396151782157407, 7.165550916700928 ], [ 6.39819418026739, 7.234389718430654, 14.74394516763159 ], [ 6.338957330030826, 5.283843299309503, 10.637592956050785 ], [ 7.575618745909274, 6.8804163780383805, 2.699724823758763 ], [ 6.4188924532316465, 0.9095224499159842, 2.9919744053259025 ], [ 2.499653060056062, 2.146040954924761, 0.6689107865231688 ], [ 2.8600428898585966, 2.909776846520796, 4.646954720028997 ], [ 2.5405299318900036, 3.3935617344180673, 13.931675286006477 ], [ 3.547591708977656, 5.2504740348111945, 5.381872786285182 ], [ 3.354447145361818, 5.7452394958779385, 8.38405934382302 ], [ 3.361836212335853, 2.6134170016935236, 11.619833286891442 ], [ 3.9710500594253473, 0.8916690327853503, 2.249902094945156 ], [ 4.2626693661351585, 7.873950222154427, 9.42556802506508 ], [ 6.651647875068134, 3.0809241266325773, 15.894187556643832 ], [ 4.582196561702853, 3.254234328441421, 6.462211068932371 ], [ 5.601135005316197, 5.949195480703482, 14.373963564132396 ], [ 5.159140714989267, 1.9896825000652414, 8.48597682304613 ], [ 5.176861979379998, 3.912041524279126, 4.049130041266585 ], [ 5.190100400620001, 5.178970265720874, 11.623477908733415 ], [ 5.207821665010733, 7.101329289934759, 7.186631126953872 ], [ 4.765827374683803, 3.1418163092965186, 1.2986443858676042 ], [ 5.7847658182971475, 5.836777461558579, 9.21039688106763 ], [ 3.715314504931865, 6.010087663367423, -0.2215796066438313 ], [ 6.104293013864842, 1.2170615678455734, 6.24703992493492 ], [ 6.395912320574653, 8.19934275721465, 13.422705855054843 ], [ 7.005126167664147, 6.477594788306477, 4.052774663108557 ], [ 7.012515234638181, 3.345772294122063, 7.288548606176981 ], [ 6.819370671022344, 3.8405377551888056, 10.290735163714817 ], [ 7.826432448109996, 5.697450055581933, 1.740932663993523 ], [ 7.506919490141404, 6.181234943479205, 11.025653229971004 ], [ 7.867309319943938, 6.944970835075239, 15.003697163476831 ], [ 3.948069926768354, 8.181489340084015, 12.680633544674096 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]
[ "Li", "Li", "Li", "Li", "Sn", "Sn", "Sn", "Sn", "Sn", "Sn", "P", "P", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2014-05-30 09:38:22
[ 0.08695652173913043, 0.6086956521739131, 0.17391304347826086, 0.13043478260869565 ]
[]
-305.36708
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[]
0
2.884972
pbe
true
ee901473879af35d8c8ac4a015652f89_2_Li4Sn6P8O28
[ "Li", "O", "P", "Sn" ]
48
A14B5C4D
Li5O14P4Sn
Li10 O28 P8 Sn2
4
[ 1, 1, 1 ]
3
[ [ 8.6766952, -0.41731201, -0.12614142 ], [ -1.71816335, 9.57569051, -0.13568043 ], [ -2.38279407, 1.20736611, 6.64597518 ] ]
mp-757844
[ [ -1.2071624983790104, 7.658748696247571, 4.316114279576872 ], [ -0.19491957228329526, 4.863469282942365, 4.6880745396444246 ], [ 0.1839297567074183, 8.867289836638752, 1.5008787307219893 ], [ 0.5569590272213378, 9.16338976523071, 6.201480614091937 ], [ 1.7187460418213438, 6.698334214375855, 3.6759401936122456 ], [ 2.8569917381786554, 3.6674103956241457, 2.7082131363877546 ], [ 4.018778752778662, 1.2023548447692902, 0.1826727159080619 ], [ 4.3918080232925805, 1.4984547733612468, 4.88327459927801 ], [ 4.770657352283293, 5.502275327057634, 1.6960787903555756 ], [ 5.78290027837901, 2.706995913752429, 2.068039050423128 ], [ 0.43918972970144415, 2.3871179167515564, 0.8404719414088818 ], [ 4.136548050298555, 7.978626693248444, 5.543681388591118 ], [ -0.9155739749012224, 1.2462725435716469, 5.510016495278927 ], [ -0.7716345698758015, 5.515408301167366, 1.9335014605917646 ], [ 1.4885914203987913, 1.0967600678560265, 3.889190766510816 ], [ 1.9260411151034946, 5.449739001418195, 0.6580503049678617 ], [ 2.6496966648965046, 4.916005608581805, 5.726103025032138 ], [ 3.0871463596012085, 9.268984542143974, 2.494962563489184 ], [ 5.347372349875801, 4.850336308832634, 4.450651869408235 ], [ 5.491311754901222, 9.119472066428353, 0.8741368347210726 ], [ -2.0883874283511377, 4.593558492532452, 5.1748353175511665 ], [ -2.3229441882552084, 9.38979816362931, 5.868692871655172 ], [ -1.7207329306504853, 9.357983335436549, 1.308009615377409 ], [ -0.9172864833897897, 3.9743666140595093, 2.0446938862515465 ], [ -0.3683446171963562, 2.296974344911413, 6.532290133508725 ], [ -0.2677652334332789, 6.159402478522014, 3.2373196907071957 ], [ -0.08251325502959209, 1.496645476168794, 4.15733922311138 ], [ -0.12064176592677901, 7.247576712434218, 5.951253102389356 ], [ -0.1409927408682517, 9.180372219143262, 3.475513762309922 ], [ 0.36222283300032626, 5.837021082845237, 0.836142692203877 ], [ 1.779427325189812, 1.993931619529218, 2.655856929545566 ], [ 1.9801930917142434, 3.8927000944187373, 0.7146523503351635 ], [ 2.3102013813944224, 1.4705833393765797, 5.134906879011627 ], [ 1.8181011378549554, 4.412300509674908, 4.542976198448742 ], [ 2.7576366421450436, 5.9534441003250915, 1.8411771315512575 ], [ 2.265536398605577, 8.895161270623419, 1.2492464509883727 ], [ 2.5955446882857554, 6.473044515581262, 5.669500979664837 ], [ 2.7963104548101865, 8.371812990470781, 3.728296400454434 ], [ 4.213514946999673, 4.528723527154762, 5.548010637796123 ], [ 4.716730520868251, 1.1853723908567377, 2.908639567690077 ], [ 4.696379545926778, 3.1181678975657823, 0.4329002276106431 ], [ 4.658251035029591, 8.869099133831206, 2.2268141068886194 ], [ 4.843503013433279, 4.206342131477985, 3.146833639292804 ], [ 4.944082397196356, 8.068770265088586, -0.1481368035087249 ], [ 5.493024263389789, 6.3913779959404895, 4.339459443748454 ], [ 6.296470710650484, 1.0077612745634523, 5.076143714622591 ], [ 6.8986819682552065, 0.9759464463706906, 0.5154604583448279 ], [ 6.6641252083511375, 5.772186117467546, 1.2093180124488332 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]
[ "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Sn", "Sn", "P", "P", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2014-05-06 01:01:14
[ 0.20833333333333334, 0.5833333333333334, 0.16666666666666666, 0.041666666666666664 ]
[]
-313.010675
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[]
0
3.061934
pbe
true
9446d818a4a5b5e28e43cdc586ee7a80_2_Li10Sn2P8O28
[ "Li", "O", "P", "Sn" ]
48
A16B5C2D
LiO16P5Sn2
Li2 O32 P10 Sn4
4
[ 1, 1, 1 ]
3
[ [ 19.02713556, 0, -0.82252316 ], [ 0, 7.1902975, 0 ], [ 0.00090434, 0, 5.20140325 ] ]
mp-673029
[ [ 18.37575758350336, 4.5401727141559, 3.319537224452495 ], [ 8.862189803503362, 2.6501247858441, 3.7307988044524953 ], [ 7.8138518682256, 6.0346622441597, 3.5329502389190637 ], [ 1.7288631148637101, 6.046855622563175, 1.257782080002764 ], [ 17.3274196482256, 1.1556352558403, 3.1216886589190636 ], [ 11.242430894863713, 1.1434418774368251, 0.8465205000027639 ], [ 16.5162855377051, 3.4112218027857, 0.6479246514528394 ], [ 7.858964970631579, 1.069315374837925, 1.0552647490645655 ], [ 7.002717757705105, 3.7790756972143, 1.0591862314528393 ], [ 14.250354189283964, 1.8679475423038998, -0.5895400228289491 ], [ 11.1498687108892, 6.18172726840455, 3.3975525019760275 ], [ 1.6363009308891974, 1.00857023159545, 3.808814081976027 ], [ 11.99251705651, 3.343651916768125, 3.245480467694207 ], [ 2.478949276509998, 3.8466455832318744, 3.656742047694207 ], [ 4.736786409283965, 5.3223499576961, -0.17827844282894909 ], [ 17.372532750631578, 6.120982125162075, 0.6440031690645656 ], [ 15.041323083257705, 2.8171571224405, 0.4434150003028746 ], [ 9.05295852487022, 1.610026034449825, 1.8642858728535185 ], [ 18.56652630487022, 5.580271465550174, 1.4530242928535184 ], [ 5.527755303257703, 4.3731403775594995, 0.8546765803028747 ], [ 15.182653870009206, 1.1071235409583748, 3.7121180695741636 ], [ 13.473670424037943, 2.9591876441818, 3.7411362642763106 ], [ 12.16759072813634, 4.91676296385295, 3.3618656039555814 ], [ 16.190098386229348, 4.978553432545975, 0.723198035670018 ], [ 3.786423614521385, 6.162627968767199, 0.6278042782901859 ], [ 17.680802739171646, 6.258357432592949, 4.344686679295945 ], [ 0.33347316161034496, 1.4778654902808248, 3.143765013794435 ], [ 17.425919240165218, 3.1025890680444497, -0.5141795935090636 ], [ 16.971215241955136, 3.024957079705375, 2.0456215947255583 ], [ 1.483854069481433, 0.6895186119707499, 0.094942839988805 ], [ 16.745528892061827, 0.1851096073471, 1.2664661247389932 ], [ 7.912351460165216, 4.08770843195555, -0.10291801350906359 ], [ 10.92224859048093, 2.7707831549082997, 4.14816864456189 ], [ 2.6540229481363387, 2.27353453614705, 3.7731271839555816 ], [ 7.457647461955136, 4.165340420294625, 2.456883174725558 ], [ 8.167234959171646, 0.93194006740705, 4.755948259295945 ], [ 11.878965671322415, 3.010772636021175, 1.7701986030441466 ], [ 11.862960372723572, 0.098895998941775, 2.6077828549847317 ], [ 6.676530606229346, 2.211744067454025, 1.134459615670018 ], [ 10.997421849481436, 6.50077888802925, -0.31631874001119503 ], [ 9.847040941610345, 5.712432009719175, 2.732503433794435 ], [ 1.4086808104809274, 4.4195143450917, 4.559430224561891 ], [ 2.3493925927235706, 7.0914015010582245, 3.0190444349847314 ], [ 2.3653978913224143, 4.179524863978825, 2.1814601830441465 ], [ 13.299991394521387, 1.0276695312328, 0.2165426982901858 ], [ 7.23196111206183, 7.005187892652899, 1.6777277047389934 ], [ 3.960102644037941, 4.231109855818199, 4.152397844276311 ], [ 5.669086090009204, 6.083173959041625, 4.123379649574164 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]
[ "Li", "Li", "Sn", "Sn", "Sn", "Sn", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2013-10-16 07:35:35
[ 0.041666666666666664, 0.6666666666666666, 0.20833333333333334, 0.08333333333333333 ]
[]
-327.663034
[ 0.002, 0.002, 0.394, 0.396, 0.394, 0.385, 0.007, 0.006, 0.007, 0.009, 0.01, 0.012, 0.01, 0.011, 0.01, 0.006, 0.001, 0.079, 0.083, 0.001, 0.065, 0.003, 0.022, 0.017, 0.042, 0.09, 0.098, 0.049, 0.035, 0.091, 0.054, 0.046, 0.038, 0.018, 0.037, 0.09, 0.067, 0.053, 0.018, 0.096, 0.098, 0.042, 0.057, 0.061, 0.04, 0.054, 0.004, 0.066 ]
[]
3.276
2.70179
pbe
true
02b312a12b104aa8fc2984e8a6bde0a2_7_Li2Sn4P10O32
[ "Li", "O", "P", "Sn" ]
48
A7B2C2D
Li2O7P2Sn
Li8 O28 P8 Sn4
4
[ 1, 1, 1 ]
3
[ [ 8.67651778, 0, -0.55379368 ], [ 0, 5.09438061, 0 ], [ -4.589391, 0, 14.37253404 ] ]
mp-758115
[ [ -3.073997905725774, 3.8169727721076696, 9.753910567647955 ], [ -0.7793024057257737, 3.8245981428923304, 2.567643547647955 ], [ 1.309699217521878, 1.364417158689407, 11.538221295418838 ], [ 0.4827320624781213, 3.911607463689407, 9.466786084581162 ], [ 3.604394717521878, 1.1827731463105933, 4.351954275418837 ], [ 2.7774275624781213, 3.729963451310593, 2.280519064581163 ], [ 4.866429185725772, 1.2697824671076698, 11.251096812352046 ], [ 7.161124685725772, 1.27740783789233, 4.064829792352045 ], [ -1.5859165825018802, 3.691220686771543, 12.560167268993869 ], [ 0.7087789174981196, 3.950350228228457, 5.373900248993871 ], [ 3.3783478625018795, 1.1440303817715431, 8.44484011100613 ], [ 5.67304336250188, 1.4031599232284568, 1.2585730910061297 ], [ -1.3744114874205215, 1.2297362034019392, 9.966861815427611 ], [ 0.14424582098862407, 1.4174267361267616, 7.516211670134629 ], [ 0.9202840125794786, 1.3174541015980608, 2.780594795427611 ], [ 1.6481854590113751, 3.9646170411267616, 13.488795709865371 ], [ 2.438941320988624, 1.1297635688732381, 0.32994465013462915 ], [ 3.1668427674205213, 3.7769265084019388, 11.038145564572389 ], [ 3.9428809590113754, 3.6769538738732384, 6.302528689865371 ], [ 5.461538267420521, 3.864644406598061, 3.851878544572388 ], [ 4.529236260046732, 3.147048476503084, 10.748261173240152 ], [ 6.823931760046731, 4.494522438496916, 3.5619941532401524 ], [ -2.4451564024392893, 1.552413048587993, 13.245645098227184 ], [ -1.2079692715547128, 1.040371860983895, 8.33746777785073 ], [ -1.3618741038918778, 2.757104971248335, 10.217770777602741 ], [ -0.21449988514430493, 0.4870955850149169, 10.628350435008109 ], [ 0.39972919081330405, 2.914900761565168, 7.665860220558986 ], [ -0.1504609024392895, 0.9947772564120072, 6.059378078227184 ], [ 1.0867262284452872, 1.506818444016105, 1.1512007578507304 ], [ 0.5322113649056759, 3.081563474165124, 12.885093593377627 ], [ 0.9328213961081223, 4.884465943751665, 3.0315037576027413 ], [ 2.080195614855695, 2.060094719985083, 3.4420834150081085 ], [ 1.2602199150943239, 0.5343731691651243, 8.119913786622371 ], [ 2.694424690813304, 4.726670153434831, 0.47959320055898597 ], [ 1.3927020891866961, 0.3677104565651682, 13.339147159441014 ], [ 2.8269068649056757, 4.560007440834876, 5.698826573377628 ], [ 2.006931165144304, 3.034285890014917, 10.376656944991892 ], [ 3.1543053838918773, 0.2099146662483354, 10.787236602397257 ], [ 3.5549154150943236, 2.012817135834876, 0.9336467666223717 ], [ 3.0004005515547116, 3.5875621659838948, 12.667539602149269 ], [ 4.237587682439289, 4.099603353587993, 7.759362281772816 ], [ 3.687397589186696, 2.179479848434832, 6.152880139441014 ], [ 4.301626665144304, 4.607285024985083, 3.1903899249918917 ], [ 5.449000883891877, 2.337275638751665, 3.600969582397259 ], [ 5.295096051554712, 4.054008749016105, 5.48127258214927 ], [ 6.532283182439289, 3.541967561412007, 0.5730952617728157 ], [ -2.736804980046732, 0.5998581715030838, 10.256746206759848 ], [ -0.44210948004673184, 1.947332133496916, 3.0704791867598473 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]
[ "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Sn", "Sn", "Sn", "Sn", "P", "P", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2014-05-30 08:08:33
[ 0.16666666666666666, 0.5833333333333334, 0.16666666666666666, 0.08333333333333333 ]
[]
-316.343099
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[]
0
2.181136
pbe
true
4a12eb6e3a2f770a79c6500268a811c8_14_Li8Sn4P8O28
[ "Cd", "Ru", "Se" ]
3
ABC
CdRuSe
Cd1 Ru1 Se1
3
[ 1, 1, 1 ]
3
[ [ 3.36879483, 0, 0 ], [ -1.68439741, 2.9174619, 0 ], [ 0, 0, 6.23996165 ] ]
agm004265443
[ [ 0, 0, 0.2323143338260485 ], [ 1.6843974335106409, 0.972487290275127, 2.309323632794613 ], [ -1.3510640966098187e-8, 1.9449746097248732, 3.698323683379338 ] ]
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}]
[ "Cd", "Ru", "Se" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 4.4806404, 0, 0 ], [ 0, 4.4806404, 0 ], [ 0, 0, 4.5151663 ] ]
-13.84449
[ 0, 0, 0 ]
[ [ 0, 0, 0.00419593 ], [ 0, 0, -0.0041049 ], [ 0, 0, -0.00009104 ] ]
-0
0.216904
pbe
true
1c1808afc570d95083d05ee5596b7c53_156_Cd1Ru1Se1
[ "Li", "O", "P", "Sn" ]
56
A4BCD
LiO4PSn
Li8 O32 P8 Sn8
4
[ 1, 1, 1 ]
3
[ [ 7.72109786, 0, 0 ], [ 0, 13.56622696, 0 ], [ 0, 0, 7.39081994 ] ]
mp-757590
[ [ 1.2543380562563313, 3.1290137551734776, 1.2182028350240113 ], [ 1.2543380562563313, 3.6540997248265223, 4.9136128050240115 ], [ 2.6062108737436693, 9.912127235173479, 1.2182028350240113 ], [ 2.6062108737436693, 10.437213204826522, 4.9136128050240115 ], [ 5.114886986256331, 3.1290137551734776, 2.477207134975989 ], [ 5.114886986256331, 3.6540997248265223, 6.172617104975989 ], [ 6.4667598037436695, 9.912127235173479, 2.477207134975989 ], [ 6.4667598037436695, 10.437213204826522, 6.172617104975989 ], [ 1.4713940997735013, 7.45811833150304, 3.21853948583132 ], [ 1.4713940997735013, 12.89122210849696, 6.91394945583132 ], [ 2.3891548302264987, 0.6750048515030391, 3.21853948583132 ], [ 2.3891548302264987, 6.108108628496961, 6.91394945583132 ], [ 5.331943029773502, 7.45811833150304, 0.47687048416868 ], [ 5.331943029773502, 12.89122210849696, 4.17228045416868 ], [ 6.249703760226499, 0.6750048515030391, 0.47687048416868 ], [ 6.249703760226499, 6.108108628496961, 4.17228045416868 ], [ 0.7661177507947684, 8.646747183162889, 6.679985511994281 ], [ 0.7661177507947684, 11.702593256837112, 2.9845755419942814 ], [ 3.0944311792052317, 1.863633703162889, 6.679985511994281 ], [ 3.0944311792052317, 4.919479776837111, 2.9845755419942814 ], [ 4.626666680794769, 8.646747183162889, 4.406244398005719 ], [ 4.626666680794769, 11.702593256837112, 0.7108344280057188 ], [ 6.9549801092052315, 1.863633703162889, 4.406244398005719 ], [ 6.9549801092052315, 4.919479776837111, 0.7108344280057188 ], [ 6.8277116317483015, 0.6594255321244448, 5.414774105823894 ], [ 6.8277116317483015, 6.123687947875555, 1.719364135823894 ], [ 1.0273141526128797, 10.34568933295223, 2.3294165301375793 ], [ 1.0273141526128797, 10.00365110704777, 6.024826500137579 ], [ 0.6985046373115986, 1.9370198009162, 3.8445720153864764 ], [ 0.6985046373115986, 4.8460936790838005, 0.1491620453864758 ], [ 1.8044832651966232, 8.271414180404117, 0.4032908806232124 ], [ 1.8044832651966232, 12.077926259595882, 4.098700850623213 ], [ 2.0560656648033766, 1.4883007004041175, 0.4032908806232124 ], [ 2.0560656648033766, 5.294812779595882, 4.098700850623213 ], [ 3.1620442926884014, 8.720133280916201, 3.8445720153864764 ], [ 3.1620442926884014, 11.6292071590838, 0.1491620453864758 ], [ 2.8332347773871205, 3.2205376270477695, 6.024826500137579 ], [ 2.8332347773871205, 3.5625758529522304, 2.3294165301375793 ], [ 4.753935158251699, 7.4425390121244455, 5.414774105823894 ], [ 4.753935158251699, 12.906801427875555, 1.719364135823894 ], [ 2.9671627017483013, 6.123687947875555, 1.9760458341761062 ], [ 2.9671627017483013, 0.6594255321244448, 5.671455804176106 ], [ 4.88786308261288, 10.00365110704777, 5.061403409862421 ], [ 4.88786308261288, 10.34568933295223, 1.3659934398624205 ], [ 4.559053567311599, 1.9370198009162, 7.241657894613524 ], [ 4.559053567311599, 4.8460936790838005, 3.546247924613524 ], [ 5.665032195196623, 8.271414180404117, 3.2921190893767878 ], [ 5.665032195196623, 12.077926259595882, 6.987529059376787 ], [ 5.916614594803377, 1.4883007004041175, 3.2921190893767878 ], [ 5.916614594803377, 5.294812779595882, 6.987529059376787 ], [ 7.022593222688402, 8.720133280916201, 7.241657894613524 ], [ 7.022593222688402, 11.6292071590838, 3.546247924613524 ], [ 6.69378370738712, 3.2205376270477695, 5.061403409862421 ], [ 6.69378370738712, 3.5625758529522304, 1.3659934398624205 ], [ 0.893386228251699, 7.4425390121244455, 5.671455804176106 ], [ 0.893386228251699, 12.906801427875555, 1.9760458341761062 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]
[ "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Sn", "Sn", "Sn", "Sn", "Sn", "Sn", "Sn", "Sn", "P", "P", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2014-05-06 04:42:53
[ 0.14285714285714285, 0.5714285714285714, 0.14285714285714285, 0.14285714285714285 ]
[]
-361.685132
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[]
0
3.653089
pbe
true
3d3ea6d9b92c93b6b9143b0920c63045_61_Li8Sn8P8O32
[ "Li", "O", "P", "Sn" ]
56
A9B3CD
LiO9P3Sn
Li4 O36 P12 Sn4
4
[ 1, 1, 1 ]
3
[ [ 10.91386365, 0, 0 ], [ 0, 12.66435931, 0 ], [ 0, 0, 5.61287474 ] ]
mp-757838
[ [ 1.142060307036042, 1.2323377767757906, 0.7425708675200772 ], [ 4.314871517963958, 11.432021533224209, 3.549008237520077 ], [ 6.598992132036042, 5.099841878224209, 4.870303872479922 ], [ 9.771803342963958, 7.564517431775791, 2.063866502479923 ], [ 0.3107044923404835, 10.990100614755656, 3.273334701102347 ], [ 5.1462273326595165, 1.674258695244344, 0.46689733110234716 ], [ 5.767636317340483, 8.006438350244345, 2.3395400388976526 ], [ 10.603159157659515, 4.657920959755656, 5.145977408897653 ], [ 0.7820074705384455, 7.993518170876283, 5.022204596409816 ], [ 1.739736658655538, 4.53605689585925, 2.2325367561417666 ], [ 2.249936865179373, 10.375315750874954, 0.43674047769927515 ], [ 3.206994959820627, 2.2890435591250458, 3.243177847699275 ], [ 3.717195166344462, 8.12830241414075, 5.038974126141767 ], [ 4.674924354461555, 4.670841139123717, 2.2157672264098163 ], [ 6.238939295538445, 11.003020794123717, 0.5906701435901838 ], [ 7.196668483655538, 1.79612275914075, 3.380337983858233 ], [ 7.706868690179373, 8.621223214125045, 5.1761342623007245 ], [ 8.663926784820626, 4.043136095874954, 2.3696968923007247 ], [ 9.174126991344462, 10.868236550859251, 0.5739006138582331 ], [ 10.131856179461554, 1.661338515876282, 3.3971075135901834 ], [ 0.0866011806468405, 0.7572404161536093, 2.5547367022405467 ], [ 0.327750746836782, 8.352008696438824, 3.6325729972929337 ], [ 0.711117451447599, 5.452914084299561, 2.8022971452055336 ], [ 0.9818260168085641, 9.360434901652125, 0.278969135821321 ], [ 1.5056007778016325, 3.8663939437113046, 0.8993073636822174 ], [ 2.388905928639372, 11.228793013356032, 4.813936970804704 ], [ 2.117801517443821, 11.048945307002384, 1.7725602679800818 ], [ 2.0000171364375645, 3.3576700496056184, 3.3403580383726865 ], [ 2.277409897590972, 7.371457125997612, 5.033071907708919 ], [ 3.1795219274090276, 5.292902184002387, 2.22663453770892 ], [ 3.4569146885624358, 9.306689260394382, 0.5339206683726871 ], [ 3.3391303075561782, 1.6154140029976152, 4.578997637980081 ], [ 3.0680258963606275, 1.4355662966439673, 2.0074996008047044 ], [ 3.951331047198367, 8.797965366288695, 3.7057447336822174 ], [ 4.475105808191436, 3.303924408347875, 3.085406505821321 ], [ 4.745814373552401, 7.211445225700439, 5.608740128080274 ], [ 5.129181078163218, 4.3123506135611755, 0.8261356272929341 ], [ 5.370330644353159, 11.907118893846391, 5.361174072240547 ], [ 5.54353300564684, 5.57493923884639, 3.058138037759453 ], [ 5.784682571836782, 10.644530268561176, 1.9803017427070655 ], [ 6.168049276447599, 0.8792655707004385, 2.810571981919726 ], [ 6.438757841808564, 9.636104063347874, 5.333905604178678 ], [ 6.962532602801632, 2.465785711288696, 4.7135673763177826 ], [ 7.845837753639372, 7.767745951643968, 0.7989377691952954 ], [ 7.574733342443821, 7.947593657997616, 3.840314472019918 ], [ 7.456948961437565, 2.9745096053943816, 2.2725167016273127 ], [ 7.734341722590972, 11.625081839002387, 0.5798028322910802 ], [ 8.636453752409027, 1.0392774709976127, 3.38624020229108 ], [ 8.913846513562435, 9.689849704605619, 5.0789540716273125 ], [ 8.796062132556179, 4.716765652002385, 1.033877102019918 ], [ 8.524957721360627, 4.896613358356032, 3.605375139195295 ], [ 9.408262872198367, 10.198573598711304, 1.9071300063177823 ], [ 9.932037633191436, 3.0282552466521255, 2.527468234178679 ], [ 10.2027461985524, 11.785093739299562, 0.0041346119197262 ], [ 10.586112903163219, 2.0198290414388245, 4.786739112707066 ], [ 10.82726246935316, 7.08942007115361, 0.251700667759453 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]
[ "Li", "Li", "Li", "Li", "Sn", "Sn", "Sn", "Sn", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2014-05-05 14:53:07
[ 0.07142857142857142, 0.6428571428571429, 0.21428571428571427, 0.07142857142857142 ]
[]
-380.28344
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[]
0
3.016212
pbe
true
ea72081e16ed7cf4c3e7da191e4d6d17_19_Li4Sn4P12O36
[ "Li", "O", "P", "Sn" ]
60
A8B4C2D
Li4O8P2Sn
Li16 O32 P8 Sn4
4
[ 1, 1, 1 ]
3
[ [ 8.27428888, 0, 0.25779073 ], [ 0, 10.42902543, 0 ], [ -1.85400026, 0, 8.82619654 ] ]
mp-774623
[ [ -0.2464395194423106, 6.874830562767451, 5.310521212622523 ], [ 0.019029953943468042, 1.709695528729346, 5.719152941052003 ], [ 0.9917678138894668, 3.6050327160448985, 1.5582043518430604 ], [ 1.020486264197561, 4.404094424046577, 4.287335036378551 ], [ 1.2626579158024391, 9.618607139046576, 4.6677568686214475 ], [ 1.2913763661105333, 8.819545431044897, 7.396887553156939 ], [ 2.264114226056532, 6.924208243729345, 3.235938963947997 ], [ 2.5295836994423104, 1.660317847767451, 3.644570692377478 ], [ 3.890704920557689, 8.76870758223255, 5.439416577622523 ], [ 4.156174393943468, 3.5048171862706536, 5.848048306052003 ], [ 5.128912253889468, 1.6094799989551014, 1.6870997168430604 ], [ 5.157630704197561, 0.8104182909534228, 4.416230401378551 ], [ 5.39980235580244, 6.024931005953422, 4.796652233621447 ], [ 5.428520806110533, 6.823992713955101, 7.525782918156939 ], [ 6.401258666056532, 8.719329901270653, 3.364834328947997 ], [ 6.666728139442311, 3.554194867232549, 3.773466057377478 ], [ 0.6179254061849492, 8.898476779980072, 0.7877990736761357 ], [ 1.6652187738150506, 3.6839640649800733, 8.167292831323865 ], [ 4.755069846184949, 6.745061365019927, 0.9166944386761356 ], [ 5.802363213815052, 1.5305486500199263, 8.296188196323865 ], [ -1.2719651061222674, 4.246057665741801, 6.634825712206212 ], [ 2.865179333877733, 0.9684550492581991, 6.763721077206212 ], [ 3.555109286122267, 9.4605703807418, 2.3202661927937878 ], [ 7.692253726122268, 6.182967764258199, 2.4491615577937877 ], [ -0.20741070685512458, 1.0070699759763344, 2.8425287003611035 ], [ 2.490554886855125, 6.221582690976334, 6.112563204638897 ], [ 3.9297337331448756, 4.207442739023665, 2.9714240653611035 ], [ 6.627699326855125, 9.421955454023665, 6.241458569638897 ], [ 6.8582703203745705, 0.5084438781129411, 6.653465515237125 ], [ -0.4083226457610978, 3.6323421620358967, 5.500818844247986 ], [ -0.518034125780354, 4.117015579647256, 8.02478260099213 ], [ -0.23739630646426618, 4.72301652466208, 2.543788535254677 ], [ -0.24605867867287426, 8.807680433103442, 5.682704334416602 ], [ 0.5103703365973916, 1.773953968916291, 1.7230199270403386 ], [ 0.7389192605204181, 7.022747307665718, 2.011930812640808 ], [ 0.7157166924532051, 0.9917414986895747, 4.0976828285039115 ], [ 1.5674274875467953, 6.206254213689575, 4.857409076496088 ], [ 1.544224919479582, 1.8082345926657182, 6.943161092359191 ], [ 1.7727738434026084, 6.9884666839162914, 7.232071977959661 ], [ 2.5292028586728743, 3.5931677181034414, 3.272387570583398 ], [ 2.520540486464266, 9.93752923966208, 6.411303369745322 ], [ 2.8011783057803537, 9.331528294647256, 0.9303093040078698 ], [ 2.7211258803745704, 4.7060688368870585, 6.524570150237125 ], [ 2.691466825761098, 8.846854877035897, 3.454273060752014 ], [ 3.7288217942389017, 1.5821705529641032, 5.629714209247986 ], [ 3.6991627396254296, 5.722956593112941, 2.559417119762875 ], [ 3.6191103142196464, 1.097497135352744, 8.15367796599213 ], [ 3.8997481335357334, 0.4914961903379195, 2.672683900254677 ], [ 3.8910857613271257, 6.8358577118965576, 5.811599699416602 ], [ 4.647514776597392, 3.440558746083709, 1.8519152920403386 ], [ 4.876063700520418, 8.620790837334281, 2.140826177640808 ], [ 4.852861132453206, 4.222771216310425, 4.2265781935039115 ], [ 5.7045719275467945, 9.437283931310423, 4.986304441496088 ], [ 5.681369359479582, 3.4062781223342813, 7.072056457359191 ], [ 5.909918283402608, 8.655071461083708, 7.360967342959661 ], [ 6.666347298672875, 1.621344996896558, 3.401282935583398 ], [ 6.657684926464267, 5.706008905337919, 6.5401987347453225 ], [ 6.938322745780354, 6.3120098503527435, 1.0592046690078698 ], [ 6.828611265761099, 6.796683267964103, 3.5831684257520138 ], [ -0.4379817003745706, 9.920581551887059, 2.430521754762875 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]
[ "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Sn", "Sn", "Sn", "Sn", "P", "P", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2014-02-20 05:38:30
[ 0.26666666666666666, 0.5333333333333333, 0.13333333333333333, 0.06666666666666667 ]
[]
-380.113934
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[]
0
1.919143
pbe
true
fb75038bf57cb2ff172330e979137264_14_Li16Sn4P8O32
[ "Li", "O", "P", "Sn" ]
66
A21B7C3D2
Li3O21P7Sn2
Li6 O42 P14 Sn4
4
[ 1, 1, 1 ]
3
[ [ 6.75747178, -0.01442401, 0.23701818 ], [ -3.19024567, 6.78006161, -0.38481443 ], [ -1.8916892, -0.46559644, 20.37981001 ] ]
mp-757560
[ [ -2.4495805136299014, 5.1381084688430825, 15.042211927695051 ], [ 1.1200338495139095, 1.4639250647784225, 11.539773121557559 ], [ 0.6467617901997167, 5.350640751444629, 18.46219689712371 ], [ 1.0287751198002832, 0.9494004085553709, 1.769816862876288 ], [ 0.555503060486091, 4.836116095221577, 8.692240638442442 ], [ 4.125117423629902, 1.1619326911569174, 5.189801832304947 ], [ 0.2928989137177789, 5.1548666346411975, 12.493796625242199 ], [ 0.3621840085897603, 0.6275313418613356, 17.980202388940615 ], [ 1.3133529014102403, 5.672509818138664, 2.251811371059385 ], [ 1.382634806036551, 1.145181305420413, 7.738216749943372 ], [ -2.1882090391455224, 4.318475606498646, 18.9382561266768 ], [ -2.19584643652451, 5.017181016685778, 9.627016812474524 ], [ -1.9071456688406936, 4.793040843902337, 1.1040902215123254 ], [ -1.7757014022635302, 2.712174007039289, 7.9161467711308 ], [ -1.406242782937606, 0.45045162999166655, 14.702866549990093 ], [ -0.7570076257467009, 5.462069277714908, 5.09396828165022 ], [ 0.2724512286701254, 2.7796892191608142, 15.3462389482876 ], [ 1.4030856813298747, 3.5203519408391863, 4.885774811712402 ], [ 2.4325445357467017, 0.8379718822850919, 15.13804547834978 ], [ 3.081779692937606, 5.849589530008333, 5.529147210009909 ], [ 3.4512383122635315, 3.5878671529607105, 12.3158669888692 ], [ 3.5826825788406937, 1.507000316097663, 19.127923538487675 ], [ 3.8713833465245098, 1.282860143314222, 10.604996947525473 ], [ 3.8637459491455233, 1.9815655535013532, 1.2937576333231977 ], [ -3.410773765128261, 4.69100889489206, 19.94811885602041 ], [ -3.2175356814672638, 4.569438909413864, 10.780792441514716 ], [ -2.6629921744972065, 4.759788547133027, 17.584750237953802 ], [ -2.5733155168642736, 4.203521791844015, 13.233174264106543 ], [ -2.0951682092560304, 2.704756474158898, 19.08803642934347 ], [ 4.377384617247267, 0.3180491280056662, 18.657523501908653 ], [ -2.612024729310792, 4.036742670688032, 8.384248730757985 ], [ -2.5543168625348556, 6.43018290352668, 9.292172617808145 ], [ -2.3052942075865737, 5.136071131103759, 4.806549982893868 ], [ -0.8761897065153063, 4.84848243538447, 19.45050038024556 ], [ -0.7977862734794453, -0.3184251030368368, 15.843504324923076 ], [ -0.4939907746401079, 1.7439218005305184, 14.33590067872965 ], [ -0.7806520337215778, 4.671098426772149, 10.008296631269438 ], [ -0.7093964762985009, 4.30311103305223, 1.8626786852176145 ], [ -0.29879980959887953, 3.041872022721666, 7.798902499254254 ], [ -0.1725838710278872, 2.495826985228651, 16.762791983979795 ], [ -0.5604820607244327, 6.025280398991281, 6.481011456351525 ], [ -0.19015418098211076, 6.314596301125901, 3.9748613739080283 ], [ -3.4627587593845517, 6.598337258420399, 6.580968459524139 ], [ 0.11623182774103287, 4.1635373557604245, 14.818722063916692 ], [ -0.15720700261809378, 3.969795422751914, 5.0273181942706255 ], [ 1.8327458043072937, 2.330246202844526, 15.204675185919365 ], [ 1.5593050822589678, 2.136503804239574, 5.413291696083309 ], [ 5.138295669384552, -0.2982960984203991, 13.651045300475861 ], [ 1.865691090982111, -0.014555141125900103, 16.25715238609197 ], [ 2.2360189707244333, 0.27476076100871866, 13.751002303648475 ], [ 1.848120781027887, 3.8042141747713485, 3.469221776020203 ], [ 1.9743367195988792, 3.2581691372783337, 12.433111260745745 ], [ 2.384933386298502, 1.9969301269477693, 18.369335074782384 ], [ 2.456188943721578, 1.6289427332278503, 10.223717128730563 ], [ 2.1695276846401077, 4.556119359469481, 5.89611308127035 ], [ 2.473323183479445, 6.6184662630368365, 4.388509435076922 ], [ 2.551726616515307, 1.4515587246155282, 0.7815133797544409 ], [ 3.9808311175865745, 1.163970028896241, 15.425463777106133 ], [ 4.229853772534856, -0.1301417435266806, 10.939841142191852 ], [ 4.287561639310793, 2.2632984893119676, 11.847765029242016 ], [ -2.7018477072472677, 5.981992031994333, 1.5744902580913485 ], [ 3.7707051192560317, 3.5952846858411016, 1.1439773306565275 ], [ 4.248852426864274, 2.0965193681559846, 6.998839495893457 ], [ 4.338529084497206, 1.540252612866973, 2.647263522046197 ], [ 4.893072591467265, 1.7306022505861365, 9.451221318485285 ], [ 5.086310675128261, 1.60903226510794, 0.2838949039795911 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]
[ "Li", "Li", "Li", "Li", "Li", "Li", "Sn", "Sn", "Sn", "Sn", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2014-05-08 01:31:36
[ 0.09090909090909091, 0.6363636363636364, 0.21212121212121213, 0.06060606060606061 ]
[]
-446.434549
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[]
0
1.705899
pbe
true
8ad7becb3fa3238a9555c2ca138d73e0_2_Li6Sn4P14O42
[ "Li", "O", "P", "Sn" ]
72
A12B3C2D
LiO12P3Sn2
Li4 O48 P12 Sn8
4
[ 1, 1, 1 ]
3
[ [ 12.32149761, 0, 0 ], [ 0, 8.7597404, 0 ], [ 0, 0, 8.87811013 ] ]
mp-773129
[ [ 8.338575971867021, 1.887736845420984, 6.92816783209507 ], [ 8.338575971867021, 6.872003554579016, 2.4891127670950706 ], [ 10.143670443132978, 2.4921333545790163, 2.4891127670950706 ], [ 10.143670443132978, 6.267607045420984, 6.92816783209507 ], [ 1.5175198349567873, 2.196904174267432, 4.787097579311501 ], [ 1.5175198349567873, 6.562836225732568, 0.34804251431150157 ], [ 4.6432289700432126, 6.5767743742674325, 4.787097579311501 ], [ 4.6432289700432126, 2.182966025732568, 0.34804251431150157 ], [ 7.517262644967108, 2.2107940566326922, 4.072907509481491 ], [ 7.517262644967108, 6.548946343367308, 8.51196257448149 ], [ 10.964983770032891, 2.169076143367308, 8.51196257448149 ], [ 10.964983770032891, 6.590664256632692, 4.072907509481491 ], [ 0.0136483996876209, 0.36860619694103197, 2.2325142544359613 ], [ 0.0136483996876209, 8.391134203058968, 6.671569319435961 ], [ 1.837557921019023, 5.2718390879833805, 3.483157914194131 ], [ 4.323190883980977, 0.89196888798338, 3.483157914194131 ], [ 4.323190883980977, 7.86777151201662, 7.922212979194131 ], [ 6.147100405312379, 4.011264003058968, 6.671569319435961 ], [ 6.147100405312379, 4.748476396941032, 2.2325142544359613 ], [ 7.982626634590488, 0.921027049227876, 0.9329051538778025 ], [ 7.982626634590488, 7.838713350772124, 5.371960218877802 ], [ 10.49961978040951, 3.458843150772124, 5.371960218877802 ], [ 10.49961978040951, 5.3008972492278765, 0.9329051538778025 ], [ 1.837557921019023, 3.48790131201662, 7.922212979194131 ], [ 0.3804761407740705, 5.681077253172408, 3.8215798420254607 ], [ 0.3804761407740705, 3.078663146827592, 8.26063490702546 ], [ 0.8968959807541514, 7.502667634482316, 7.525364918846082 ], [ 0.8968959807541514, 1.257072765517684, 3.086309853846082 ], [ 0.8589456449003754, 0.478766589873736, 5.735969215228197 ], [ 0.8589456449003754, 8.280973810126264, 1.2969141502281973 ], [ 1.936607976006291, 3.737654475236412, 3.5252035783965954 ], [ 1.936607976006291, 5.022085924763588, 7.964258643396595 ], [ 2.2088844873128357, 3.0423703159867364, 6.496588161012954 ], [ 2.2088844873128357, 5.717370084013265, 2.0575330960129548 ], [ 2.7442487530832675, 2.85243777034816, 0.10871991615435919 ], [ 2.7442487530832675, 5.9073026296518405, 4.547774981154358 ], [ 3.4165000519167323, 7.23230797034816, 0.10871991615435919 ], [ 3.4165000519167323, 1.5274324296518402, 4.547774981154358 ], [ 3.9518643176871637, 7.4222405159867355, 6.496588161012954 ], [ 3.9518643176871637, 1.337499884013264, 2.0575330960129548 ], [ 4.224140828993709, 0.642215724763588, 7.964258643396595 ], [ 4.224140828993709, 8.117524675236412, 3.5252035783965954 ], [ 5.301803160099625, 4.858636789873737, 5.735969215228197 ], [ 5.301803160099625, 3.901103610126264, 1.2969141502281973 ], [ 5.263852824245848, 5.636942965517684, 3.086309853846082 ], [ 5.263852824245848, 3.122797434482316, 7.525364918846082 ], [ 5.7802726642259294, 1.301207053172408, 3.8215798420254607 ], [ 5.7802726642259294, 7.4585333468275925, 8.26063490702546 ], [ 6.577430927211199, 1.3605716386684, 0.6004286300572299 ], [ 6.577430927211199, 7.3991687613316, 5.03948369505723 ], [ 7.133658568809763, 3.0543162367624284, 5.898496693447447 ], [ 7.133658568809763, 5.705424163237573, 1.4594416284474476 ], [ 7.139784324561551, 3.914232884232592, 3.086299999143838 ], [ 7.139784324561551, 4.845507515767409, 7.525355064143837 ], [ 8.132067795138399, 0.636564991426356, 5.368116796221424 ], [ 8.132067795138399, 8.123175408573644, 0.9290617312214242 ], [ 8.447013159808469, 1.403593439292324, 2.348285964685478 ], [ 8.447013159808469, 7.356146960707676, 6.787341029685479 ], [ 8.948479260644124, 1.516651729544156, 8.732309277608973 ], [ 8.948479260644124, 7.243088670455844, 4.293254212608973 ], [ 9.533767154355875, 2.8632184704558443, 4.293254212608973 ], [ 9.533767154355875, 5.896521929544156, 8.732309277608973 ], [ 10.03523325519153, 2.9762767607076763, 6.787341029685479 ], [ 10.03523325519153, 5.783463639292324, 2.348285964685478 ], [ 10.350178619861602, 3.743305208573644, 0.9290617312214242 ], [ 10.350178619861602, 5.016435191426355, 5.368116796221424 ], [ 11.342462090438449, 0.46563731576740797, 7.525355064143837 ], [ 11.342462090438449, 8.294103084232592, 3.086299999143838 ], [ 11.348587846190236, 1.3255539632375721, 1.4594416284474476 ], [ 11.348587846190236, 7.4341864367624275, 5.898496693447447 ], [ 11.9048154877888, 3.0192985613316004, 5.03948369505723 ], [ 11.9048154877888, 5.7404418386684, 0.6004286300572299 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]
[ "Li", "Li", "Li", "Li", "Sn", "Sn", "Sn", "Sn", "Sn", "Sn", "Sn", "Sn", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2014-02-19 11:39:04
[ 0.05555555555555555, 0.6666666666666666, 0.16666666666666666, 0.1111111111111111 ]
[]
-489.759873
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[]
0
1.93988
pbe
true
a702411b67e8eeafdbcfb80e486ded8b_29_Li4Sn8P12O48
[ "Li", "O", "P", "Sn" ]
72
A12B4CD
LiO12P4Sn
Li4 O48 P16 Sn4
4
[ 1, 1, 1 ]
3
[ [ 10.34405396, 0, 0.24111675 ], [ 0, 9.0874235, 0 ], [ -2.85975518, 0, 10.06766959 ] ]
mp-757974
[ [ 0.4482079782955232, 8.574948884002994, 10.08660007199453 ], [ 0.43418623170447695, 4.031237134002995, 5.135462688005469 ], [ 7.050112548295524, 5.0561863659970046, 5.173323651994531 ], [ 7.036090801704478, 0.512474615997005, 0.222186268005469 ], [ 9.421540536426637, 7.15692796485094, 3.35644556867702 ], [ 2.819635966426637, 6.47420728514906, 8.26972198867702 ], [ 4.664662813573363, 2.61321621485094, 2.03906435132298 ], [ -1.9372417564266373, 1.93049553514906, 6.952340771322979 ], [ -0.9424092923111469, 3.518651742313525, 9.935764754322406 ], [ -0.5575594370306385, 5.424261549956305, 7.65220784288861 ], [ -0.5894632734590665, 1.5568487609676749, 3.5930654701868274 ], [ 1.4399536470306387, 0.880549799956305, 7.56985491711139 ], [ 1.8248035023111469, 8.062363492313525, 5.286298005677593 ], [ 1.7825236798910216, 0.097390917266085, 2.608671139549372 ], [ 1.9596257101089785, 4.641102667266085, 2.545722030450628 ], [ 3.152675772486974, 2.9868629890323253, 8.747458399070076 ], [ 4.331623007513026, 6.100560510967675, 1.5613279409299223 ], [ 5.524673069891022, 4.446320832733915, 7.763064309549371 ], [ 5.7017751001089785, 8.990032582733916, 7.700115200450628 ], [ 5.659495277688854, 1.0250600076864749, 5.022488334322406 ], [ 6.044345132969362, 8.206873700043696, 2.73893142288861 ], [ 8.073772397513027, 7.530574739032325, 6.715721110929922 ], [ 8.04185821703064, 3.663161950043695, 2.6565784971113895 ], [ 8.426708072311147, 5.568771757686475, 0.37302158567759364 ], [ -1.9262293767734258, 2.6316410568714246, 9.233580184036093 ], [ -1.8091644304701493, 6.452565404335339, 7.573344794619284 ], [ -1.5057939554072657, 8.812064662658385, 6.679586349821372 ], [ -0.7918819102134177, 4.92368927776266, 9.142323198341442 ], [ -0.7145644465843127, 4.308489336030835, 6.652619359389255 ], [ -0.5537665464575865, 2.23516140415241, 4.9420676211331624 ], [ 0.17104720249307168, 1.684835306547795, 7.670510627618743 ], [ 0.44846781917874673, 7.559196851584865, 4.934855950942313 ], [ 0.7113470075069278, 6.228547056547795, 7.551552132381256 ], [ 0.883661113871572, 5.09857201755994, 3.489396378907309 ], [ 0.8170330033229873, 8.1639849687158, 2.0453931530604037 ], [ 0.9590294408718772, 1.379003521109395, 3.155513619818555 ], [ 1.2212331951254147, 4.09194757505368, 1.2163271576368029 ], [ 1.5969586565843121, 8.852201086030835, 8.569443400610744 ], [ 1.6742761202134178, 0.37997752776266, 6.079739561658557 ], [ 2.388188165407265, 4.2683529126583855, 8.542476410178626 ], [ 2.5209161948745855, 8.635659325053679, 3.938066012363197 ], [ 2.691558640470149, 1.90885365433534, 7.648717965380715 ], [ 2.808623586773426, 7.175352806871425, 5.988482575963905 ], [ 2.7831199491281233, 5.922715271109395, 1.9988795501814445 ], [ 3.188382843542413, 2.30855034584759, 10.096460791133161 ], [ 2.9251163866770127, 3.6202732187157998, 3.109000016939596 ], [ 2.8584882761284285, 0.55486026755994, 1.6649967910926908 ], [ 3.293681570821253, 3.015485101584865, 0.2195372190576868 ], [ 4.190617209178747, 6.071938398415135, 10.089249120942313 ], [ 4.625810503871572, 8.53256323244006, 8.643789548907309 ], [ 4.559182393322987, 5.4671502812842, 7.199786323060404 ], [ 4.295915936457586, 6.77887315415241, 0.212325548866838 ], [ 4.701178830871878, 3.1647082288906048, 8.309906789818555 ], [ 4.675675193226574, 1.912070693128575, 4.320303764036093 ], [ 4.792740139529851, 7.1785698456646605, 2.6600683746192835 ], [ 4.963382585125415, 0.45176417494632, 6.3707203276368025 ], [ 5.096110614592734, 4.819070587341615, 1.7663099298213731 ], [ 5.810022659786583, 8.70744597223734, 4.229046778341442 ], [ 5.887340123415688, 0.235222413969165, 1.7393429393892548 ], [ 6.263065584874585, 4.99547592494632, 9.092459182363196 ], [ 6.525269339128123, 7.708419978890605, 7.1532727201814446 ], [ 6.667265776677013, 0.9234385312842001, 8.263393186939595 ], [ 6.600637666128428, 3.9888514824400603, 6.81938996109269 ], [ 6.772951772493072, 2.858876443452205, 2.7572342076187426 ], [ 7.0358309608212535, 1.528226648415135, 5.373930389057686 ], [ 7.313251577506928, 7.402588193452205, 2.638275712381257 ], [ 8.038065326457588, 6.85226209584759, 5.366718718866838 ], [ 8.198863226584313, 4.778934163969165, 3.656166980610745 ], [ 8.276180690213417, 4.1637342222373395, 1.1664631416585574 ], [ 8.990092735407265, 0.275358837341615, 3.629199990178627 ], [ 9.293463210470149, 2.6348580956646597, 2.7354415453807164 ], [ 9.410528156773426, 6.455782443128575, 1.0752061559639061 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]
[ "Li", "Li", "Li", "Li", "Sn", "Sn", "Sn", "Sn", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2014-05-31 03:21:08
[ 0.05555555555555555, 0.6666666666666666, 0.2222222222222222, 0.05555555555555555 ]
[]
-491.817253
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[]
0
2.927709
pbe
true
44cda921d154673944c40a903c798384_14_Li4Sn4P16O48
[ "Li", "O", "P", "Sn" ]
80
A12B3C3D2
Li3O12P3Sn2
Li12 O48 P12 Sn8
4
[ 1, 1, 1 ]
3
[ [ 8.93929052, 0.18101791, 0 ], [ 0.25593442, 13.13666607, 0 ], [ 0, 0, 9.12966342 ] ]
mp-757899
[ [ 0.9546727810557667, 9.37107996423309, 0.686994847309383 ], [ 1.9965873821648648, 2.3306002676433897, 7.092657117374773 ], [ 1.9516860444044475, 10.638521904217619, 6.808709338474862 ], [ 2.6010250878351355, 4.32824172235661, 2.527825407374773 ], [ 2.9018608455955524, 9.156986155782382, 2.243877628474862 ], [ 3.8988741089442334, 10.424428095766912, 5.251826557309383 ], [ 5.296350831055767, 2.893255884233089, 3.8778368626906174 ], [ 6.594199852164865, 8.98944225764339, 6.601838012625227 ], [ 6.293364094404447, 4.1606978242176185, 6.885785791525138 ], [ 7.243538895595553, 2.679162075782382, 2.320954081525138 ], [ 7.198637557835135, 10.98708371235661, 2.037006302625227 ], [ 8.240552158944233, 3.9466040157669116, 8.442668572690616 ], [ 2.579305452022422, 12.038276645582158, 0.463223145019815 ], [ 2.2262688555145984, 1.4238211111006105, 4.0341497558597075 ], [ 2.3713436144854017, 5.235020878899389, 8.598981465859707 ], [ 2.274241437977578, 7.757231414417843, 5.028054855019815 ], [ 6.9209835020224215, 5.560452565582159, 4.101608564980185 ], [ 6.8238813255145985, 8.08266310110061, 0.5306819541402924 ], [ 6.615919487977578, 1.279407334417842, 8.666440274980186 ], [ 6.968956084485402, 11.89386286889939, 5.0955136641402925 ], [ 0.7311140424009106, 6.712512862284159, 2.1486435530350843 ], [ 1.0916349993930818, 2.256675637312077, 0.8521227956970203 ], [ 1.1825283725144098, 11.325103925416002, 3.668767752965885 ], [ 3.505977470606918, 4.402166352687924, 5.41695450569702 ], [ 3.6710185174855905, 8.470404134584, 8.233599462965886 ], [ 4.1224328475990895, 13.082995197715842, 6.713475263035084 ], [ 5.072792092400911, 0.2346887822841579, 2.416188156964916 ], [ 5.5242064225144105, 4.8472798454160015, 0.8960639570341146 ], [ 5.689247469393082, 8.915517627312076, 3.7127089143029797 ], [ 8.01269656748559, 1.9925800545839987, 5.460895667034114 ], [ 8.103589940606918, 11.061008342687924, 8.27754062430298 ], [ 8.46411089759909, 6.605171117715843, 6.981019866964916 ], [ 0.39807374166228, 5.545854063080337, 7.953543842175189 ], [ 0.3398004531834214, 7.178405108563815, 5.943638762818963 ], [ 0.6407575667216299, 1.900364972634631, 5.2715958391824165 ], [ 0.642057730328512, 10.510919190231544, 8.165131186961059 ], [ 1.7474811638592656, 7.667993367150782, 2.7872454325305123 ], [ 1.5321578790367434, 5.620095394655737, 1.3447832622617466 ], [ 1.344801524124641, 0.8647466755541371, 0.2838450701864364 ], [ 1.580875580381347, 12.838106756406788, 3.3692924251145064 ], [ 1.8104097001594306, 2.475863109079044, 2.23772158772739 ], [ 1.4485546423834446, 10.523701592306468, 2.3851065830380627 ], [ 1.7178867916200884, 3.2373004906151195, 8.906663448159325 ], [ 1.9318832082148214, 10.812182130476495, 4.893830086935804 ], [ 2.8797256783799114, 3.421541499384881, 4.341831738159325 ], [ 2.9216636817851787, 8.983325929523506, 0.32899837693580397 ], [ 3.4049922476165557, 9.271806467693532, 6.949938293038063 ], [ 2.7872027698405697, 4.182978880920956, 6.80255329772739 ], [ 3.2528109458753587, 5.794095314445863, 4.848676780186436 ], [ 3.272671309618653, 6.957401303593213, 7.934124135114506 ], [ 3.065454590963257, 1.038746595344263, 5.909614972261746 ], [ 3.1060657261407347, 12.12751469284922, 7.352077142530512 ], [ 3.9568549032783706, 4.75847701736537, 0.7067641291824168 ], [ 4.211489159671489, 9.284588869768458, 3.600299476961059 ], [ 4.1995387283377195, 1.1129879269196636, 3.3887121321751885 ], [ 4.513746436816579, 12.617102951436184, 1.3788070528189633 ], [ 4.99568621166228, 12.204696053080337, 5.740951287824811 ], [ 4.681478503183421, 0.7005810285638159, 7.750856367181037 ], [ 4.983735780328512, 4.033095110231543, 5.529363943038942 ], [ 5.238370036721629, 8.559206962634631, 8.422899290817584 ], [ 6.089159213859265, 1.190169287150781, 1.7775862774694873 ], [ 6.129770349036744, 12.278937384655737, 3.220048447738254 ], [ 5.922553630381348, 6.360282676406787, 1.1955392848854935 ], [ 5.9424139941246406, 7.523588665554137, 4.280986639813563 ], [ 5.790232692383444, 4.045877512306468, 2.1797251269619373 ], [ 6.40802217015943, 9.134705099079046, 2.32711012227261 ], [ 6.273561258214821, 4.334358050476495, 8.800665043064196 ], [ 6.315499261620088, 9.89614248061512, 4.787831681840675 ], [ 7.263341731785179, 2.505501849523505, 4.235833333064196 ], [ 7.477338148379912, 10.08038348938488, 0.22299997184067538 ], [ 7.746670297616556, 2.793982387693532, 6.744556836961937 ], [ 7.384815239840569, 10.841820870920955, 6.89194183227261 ], [ 7.614349359618653, 0.4795772235932129, 5.760370994885494 ], [ 7.850423415875359, 12.452937304445863, 8.845818349813564 ], [ 7.447743776140735, 5.649690612849219, 6.342417987469488 ], [ 7.6630670609632565, 7.6975885853442625, 7.784880157738254 ], [ 8.55446737327837, 11.41731900736537, 3.858067580817583 ], [ 8.55316720967149, 2.8067647897684567, 0.9645322330389414 ], [ 8.85542448681658, 6.139278871436184, 3.186024657181037 ], [ 8.797151198337719, 7.771829916919664, 1.1761195778248117 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]
[ "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Sn", "Sn", "Sn", "Sn", "Sn", "Sn", "Sn", "Sn", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2014-05-30 17:27:54
[ 0.15, 0.6, 0.15, 0.1 ]
[]
-525.093414
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[]
0
2.559421
pbe
true
6ea42c91e34218ebe9aa1da205ee6364_14_Li12Sn8P12O48
[ "Li", "O", "P", "Sn" ]
84
A4BCD
LiO4PSn
Li12 O48 P12 Sn12
4
[ 1, 1, 1 ]
3
[ [ 25.14235366, 0, 0 ], [ 0, 5.39672005, 0 ], [ 0, 0, 8.68467713 ] ]
mp-757945
[ [ 2.274555068523976, 1.3042946823361425, 0.6145873306039119 ], [ 1.8535088943803228, 3.9110904470998102, 5.055882754387527 ], [ 6.5235824148160475, 1.266964652307884, 3.6218499340857835 ], [ 6.047594415183953, 3.965324677307884, 7.964188499085783 ], [ 10.717667935619678, 1.21273042209981, 0.7135441893875265 ], [ 10.296621761476025, 4.002654707336142, 4.956925895603912 ], [ 14.845731898523976, 1.3042946823361425, 3.727751234396089 ], [ 14.424685724380325, 3.9110904470998102, 7.971132940612474 ], [ 19.09475924481605, 1.266964652307884, 0.7204886309142171 ], [ 18.618771245183954, 3.965324677307884, 5.062827195914218 ], [ 23.28884476561968, 1.21273042209981, 3.628794375612474 ], [ 22.867798591476024, 4.002654707336142, 8.070089799396088 ], [ 24.693326560468133, 1.302379872095202, 6.44480666690188 ], [ 4.623025388302377, 3.8682850668104227, 2.111072358921656 ], [ 3.7533536380148065, 1.388323718235462, 6.518716048374861 ], [ 8.817823191985195, 4.086683743235462, 2.176377483374861 ], [ 7.948151441697624, 1.169925041810423, 6.453410923921656 ], [ 13.020203929531869, 4.000739897095202, 2.1024681019018794 ], [ 12.122149730468134, 1.302379872095202, 6.582209028098121 ], [ 17.19420221830238, 3.8682850668104227, 2.2312662060783444 ], [ 16.324530468014807, 1.388323718235462, 6.50829964662514 ], [ 21.389000021985193, 4.086683743235462, 2.165961081625139 ], [ 20.519328271697624, 1.169925041810423, 6.573604771078345 ], [ 0.4490270995318674, 4.000739897095202, 2.2398704630981205 ], [ 1.5493379569193257, 1.212777265629844, 3.6301359845355163 ], [ 2.62004922418994, 4.074966330695701, 7.95441597929848 ], [ 5.69944547839503, 1.227628175732236, 0.6634875341924037 ], [ 6.8717313516049705, 3.9259882007322355, 5.0058260991924035 ], [ 9.951127605810061, 1.3766063056957016, 3.6120774142984793 ], [ 11.021838873080675, 3.911137290629844, 7.972474549535517 ], [ 14.120514786919326, 1.212777265629844, 0.7122025804644841 ], [ 15.191226054189942, 4.074966330695701, 5.0725997157015215 ], [ 18.27062230839503, 1.227628175732236, 3.6788510308075963 ], [ 19.44290818160497, 3.9259882007322355, 8.021189595807597 ], [ 22.52230443581006, 1.3766063056957016, 0.7302611507015208 ], [ 23.593015703080674, 3.911137290629844, 5.054541145464484 ], [ 0.058369733986446196, 1.059786080669998, 3.991600149742305 ], [ 1.7643427942428158, 4.739474886121898, 0.37333412136775845 ], [ 2.4648530177528576, 4.934048608575002, 6.633705950148483 ], [ 2.112812798887977, 2.6210057603929213, 7.653566518120527 ], [ 1.6550600455184064, 2.055558534729317, 2.3053858435846433 ], [ 2.1300501451337364, 5.1663817780707415, 3.391111350297692 ], [ 2.3618960852093043, 1.957971696818786, 4.722221627697949 ], [ 4.120432252874343, 4.037602355298328, 8.31336506200842 ], [ 4.210197998146641, 1.305969662338061, 0.27971790478523734 ], [ 6.016432730634213, 3.218105612624984, 3.9216195425093923 ], [ 6.321636515983562, 5.3711858468538285, 5.271519813654575 ], [ 6.7621463917895674, 3.0910068650882287, 6.344237932042938 ], [ 5.809030438210433, 0.39264684008822853, 2.001899367042937 ], [ 6.249540314016438, 2.6728258218538286, 0.9291812486545744 ], [ 6.554744099365788, 0.519745587624984, 8.263958107509394 ], [ 8.36097883185336, 4.004329687338061, 4.622056469785237 ], [ 8.450744577125658, 1.3392423302983285, 3.97102649700842 ], [ 10.209280744790698, 4.656331721818786, 0.3798830626979488 ], [ 10.441126684866264, 2.468021753070742, 7.733449915297693 ], [ 10.916116784481595, 4.753918559729317, 6.6477244085846445 ], [ 10.458364031112025, 5.319365785392922, 3.311227953120526 ], [ 10.106323812247142, 2.2356885835750013, 2.2913673851484826 ], [ 10.806834035757184, 2.041114861121898, 4.715672686367759 ], [ 12.512807096013555, 3.758146105669998, 8.333938714742304 ], [ 12.629546563986446, 1.059786080669998, 0.3507384152576957 ], [ 14.335519624242815, 4.739474886121898, 3.969004443632242 ], [ 15.03602984775286, 4.934048608575002, 6.393309744851518 ], [ 14.683989628887977, 2.6210057603929213, 5.3734491768794745 ], [ 14.226236875518406, 2.055558534729317, 2.0369527214153567 ], [ 14.701226975133737, 5.1663817780707415, 0.9512272147023082 ], [ 14.933072915209305, 1.957971696818786, 8.304794067302053 ], [ 16.691609082874344, 4.037602355298328, 4.713650632991581 ], [ 16.781374828146642, 1.305969662338061, 4.062620660214763 ], [ 18.587609560634213, 3.218105612624984, 0.42071902249060794 ], [ 18.892813345983562, 5.3711858468538285, 7.755495881345426 ], [ 19.333323221789566, 3.0910068650882287, 6.6827777629570635 ], [ 18.380207268210434, 0.39264684008822853, 2.3404391979570636 ], [ 18.82071714401644, 2.6728258218538286, 3.413157316345426 ], [ 19.12592092936579, 0.519745587624984, 4.763057587490608 ], [ 20.932155661853358, 4.004329687338061, 8.404959225214764 ], [ 21.021921407125657, 1.3392423302983285, 0.3713120679915805 ], [ 22.780457574790695, 4.656331721818786, 3.9624555023020513 ], [ 23.012303514866264, 2.468021753070742, 5.293565779702308 ], [ 23.487293614481597, 4.753918559729317, 6.379291286415357 ], [ 23.029540861112025, 5.319365785392922, 1.0311106118794742 ], [ 22.677500642247143, 2.2356885835750013, 2.050971179851518 ], [ 23.378010865757187, 2.041114861121898, 8.311343008632242 ], [ 25.083983926013556, 3.758146105669998, 4.693076980257697 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]
[ "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Sn", "Sn", "Sn", "Sn", "Sn", "Sn", "Sn", "Sn", "Sn", "Sn", "Sn", "Sn", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2014-05-06 02:53:26
[ 0.14285714285714285, 0.5714285714285714, 0.14285714285714285, 0.14285714285714285 ]
[]
-543.577838
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[]
0
2.587663
pbe
true
f73a4df798b7b85700d9691d4e76c4e1_33_Li12Sn12P12O48
[ "Cd", "Ru", "Tc" ]
4
A2BC
CdRuTc2
Cd1 Tc2 Ru1
3
[ 1, 1, 1 ]
3
[ [ 3.07232247, 0, 0 ], [ 0, 4.39419379, 0 ], [ 0, 0, 4.64674066 ] ]
agm004171747
[ [ 1.536161235, 0, 2.32337033 ], [ 0, 2.197096895, 2.32337033 ], [ 0, 0, 0 ], [ 1.536161235, 2.197096895, 0 ] ]
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}]
[ "Cd", "Ru", "Tc", "Tc" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
[ [ 6.873686, 0, 0 ], [ 0, 6.4369783, 0 ], [ 0, 0, 7.235304 ] ]
-28.724654
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000004
5.44301
pbe
true
c25b515b12f15edbde43d084d718cf03_47_Cd1Tc2Ru1
[ "Li", "O", "P", "Sr" ]
20
A6B2CD
LiO6P2Sr
Sr2 Li2 P4 O12
4
[ 1, 1, 1 ]
3
[ [ 6.77338003, 0.60129372, 0.40383494 ], [ -0.23248383, 6.79604167, 0.40383494 ], [ -1.44152873, -1.63027683, 5.36668253 ] ]
agm004945350
[ [ 0.7935705553982375, 5.162552967285509, 1.7455055725 ], [ 4.305796914601762, 0.6045055927144907, 4.4288468375 ], [ 3.50847430121289, 2.7619718612414883, 1.7455055725 ], [ 1.5908931687871108, 3.0050866987585128, 4.4288468375 ], [ 0.9050152500519169, -0.17677180204863124, 4.314890942964685 ], [ 4.664844698755927, 4.075354908452208, 4.542802732035315 ], [ 4.194352219948083, 5.943830362048631, 1.859461467035315 ], [ 0.43452277124407207, 1.6917036515477932, 1.6315496779646852 ], [ 5.863470752956421, 2.8416224745874263, 1.5545585275205007 ], [ 3.717741370449013, 0.4149397361673875, 1.9364526174794994 ], [ -0.7641032829564214, 2.925436085412574, 4.6197938824795 ], [ 1.3816260995509877, 5.352118823832613, 4.237899792520501 ], [ 1.1476779286706793, 0.9413448762575234, 0.3555793410142221 ], [ 5.026376767336548, 5.327905264277061, 3.135431803985778 ], [ 3.951689541329321, 4.825713683742477, 5.818773068985778 ], [ 0.07299070266345194, 0.4391532957229389, 3.038920606014222 ], [ 1.3781771162653464, 2.734988814559636, 2.244601159469249 ], [ 3.274445441477136, 4.879547047753112, 1.2464099855307509 ], [ 3.721190353734654, 3.0320697454403644, 3.9297512505307512 ], [ 1.824922028522865, 0.8875115122468881, 4.927942424469249 ] ]
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "Sr", "Sr", "Li", "Li", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.1, 0.6, 0.2, 0.1 ]
[ [ 0.6606543, -0.09477234, -0.00474455 ], [ -0.09477234, 0.6372728, -0.00536578 ], [ -0.00474456, -0.0053658, 0.80459565 ] ]
-132.75759
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0.00260716, -0.00230531, 0 ], [ -0.00260716, 0.00230531, 0 ], [ -0.0033767, 0.00298576, 0 ], [ 0.0033767, -0.00298576, 0 ], [ 0.0041538, 0.00014398, 0.00217437 ], [ 0.00036565, -0.00414018, -0.00217437 ], [ -0.0041538, -0.00014398, -0.00217437 ], [ -0.00036565, 0.00414018, 0.00217437 ], [ -0.00276432, 0.00044036, -0.0011846 ], [ -0.00077548, 0.00268961, 0.0011846 ], [ 0.00276432, -0.00044036, 0.0011846 ], [ 0.00077548, -0.00268961, -0.0011846 ], [ -0.00493244, -0.00371302, 0.00051455 ], [ 0.00308122, 0.00534992, -0.00051455 ], [ 0.00493244, 0.00371302, -0.00051455 ], [ -0.00308122, -0.00534992, 0.00051455 ], [ -0.00291397, -0.00068433, 0.00209821 ], [ 0.00032243, 0.00297583, -0.00209821 ], [ 0.00291397, 0.00068433, -0.00209821 ], [ -0.00032243, -0.00297583, 0.00209821 ] ]
0.000021
3.653996
pbe
true
c5cfe4478446f5d83c1d6b941a7ece50_15_Sr2Li2P4O12
[ "Li", "O", "P", "Tb" ]
36
A12B4CD
LiO12P4Tb
Li1 O12 P4 Tb1
4
[ 1, 1, 1 ]
3
[ [ 0, 6.9702, 0 ], [ -8.061188, -3.4851, -0.037292 ], [ 2.502054, -3.4851, 7.693112 ] ]
oqmd-2071838
[ [ -1.3897799999999991, 1.4239299999999964, 1.9139600000000028 ], [ -4.169350000000003, -1.423930000000003, 5.74187 ], [ -6.459230000000002, -1.92967, 0.3352399999999999 ], [ -5.930079999999996, 2.6261300000000003, 0.5747099999999998 ], [ -1.5736799999999989, 2.891979999999998, 0.6469800000000003 ], [ -4.7699400000000045, 0.5245400000000022, 1.1339399999999968 ], [ -0.10741999999999984, -0.0023500000000023133, 1.5266400000000004 ], [ -7.23816, 0.7995999999999999, 1.7839200000000015 ], [ -3.6025899999999997, -2.6854999999999993, 2.006689999999998 ], [ -2.6721500000000016, -0.00234999999999636, 2.3012699999999966 ], [ -6.070810000000003, -2.960559999999998, 2.656679999999999 ], [ -1.205890000000005, 2.891979999999998, 3.180929999999997 ], [ -4.910670000000001, -0.8589699999999999, 3.215910000000003 ], [ -4.381529999999998, 1.5554300000000032, 3.4553799999999977 ], [ -1.1776100000000014, -1.55543, 4.200439999999997 ], [ -0.6484600000000017, 0.8589699999999997, 4.439910000000003 ], [ -4.35325, -2.8919800000000024, 4.474900000000002 ], [ 0.5116799999999981, 2.9605600000000014, 4.999140000000001 ], [ -2.886989999999998, 0.002349999999999532, 5.354549999999998 ], [ -1.9565399999999968, 2.6855000000000033, 5.64913 ], [ 1.6790299999999994, -0.7996000000000023, 5.8718999999999975 ], [ -5.451710000000002, 0.0023499999999992446, 6.129179999999998 ], [ -0.7891900000000002, -0.5245399999999988, 6.521880000000002 ], [ -3.985449999999998, -2.8919799999999984, 7.008839999999998 ], [ 0.3709500000000024, -2.626130000000004, 7.081120000000003 ], [ 0.9000899999999972, 1.9296699999999969, 7.32058 ], [ -6.218050000000002, 1.0432999999999966, 0.7179500000000003 ], [ -6.73789, -3.1139600000000005, 1.20162 ], [ -4.10286, 0.37114000000000114, 2.5889899999999995 ], [ -4.622700000000004, -2.4417999999999997, 3.0726700000000022 ], [ -0.9364300000000012, 2.4418000000000037, 4.583149999999996 ], [ -1.4562699999999975, -0.3711400000000015, 5.0668299999999995 ], [ 1.1787600000000036, 3.1139600000000023, 6.454199999999999 ], [ 0.6589199999999993, -1.043300000000004, 6.9378800000000025 ], [ -1.3897799999999991, 4.903809999999999, 1.9139600000000028 ], [ -4.169350000000003, -4.903810000000002, 5.74187 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}]
[ "Li", "Li", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "P", "P", "P", "P", "P", "P", "P", "P", "Tb", "Tb" ]
2024-11-01 00:00:00
[ 0.05555555555555555, 0.6666666666666666, 0.2222222222222222, 0.05555555555555555 ]
[ [ 42.6669, 0, 2.72744 ], [ 0, 44.92405, 0 ], [ 2.72744, 0, 42.94033 ] ]
-263.638
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0.048063, 0 ], [ 0, -0.048063, 0 ], [ -0.004856, -0.005331, -0.0114 ], [ -0.00087, 0.082951, -0.007384 ], [ -0.018272, -0.016237, 0.017186 ], [ 0.044897, 0.009621, 0.04223 ], [ -0.025023, 0.006236, 0.006928 ], [ 0.083742, 0.030229, -0.016866 ], [ -0.083742, 0.030229, 0.016866 ], [ 0.025023, 0.006236, -0.006928 ], [ -0.044897, 0.009621, -0.04223 ], [ 0.018272, -0.016237, -0.017186 ], [ 0.00087, 0.082951, 0.007384 ], [ 0.004856, -0.005331, 0.0114 ], [ -0.004856, 0.005331, -0.0114 ], [ -0.00087, -0.082951, -0.007384 ], [ -0.018272, 0.016237, 0.017186 ], [ 0.044897, -0.009621, 0.04223 ], [ -0.025023, -0.006236, 0.006928 ], [ 0.083742, -0.030229, -0.016866 ], [ -0.083742, -0.030229, 0.016866 ], [ 0.025023, -0.006236, -0.006928 ], [ -0.044897, -0.009621, -0.04223 ], [ 0.018272, 0.016237, -0.017186 ], [ 0.00087, -0.082951, 0.007384 ], [ 0.004856, 0.005331, 0.0114 ], [ -0.165248, -0.06975, 0.035596 ], [ 0.109103, -0.074748, 0.049122 ], [ -0.109103, -0.074748, -0.049122 ], [ 0.165248, -0.06975, -0.035596 ], [ -0.165248, 0.06975, 0.035596 ], [ 0.109103, 0.074748, 0.049122 ], [ -0.109103, 0.074748, -0.049122 ], [ 0.165248, 0.06975, -0.035596 ], [ 0, -0.108596, 0 ], [ 0, 0.108596, 0 ] ]
0.008882
null
pbe
true
ebdf36092d3d90ba0871826af7fa28ab_15_Li2Tb2P8O24
[ "Li", "O", "P", "Ti" ]
28
A8B3C2D
Li3O8P2Ti
Li6 Ti2 P4 O16
4
[ 1, 1, 1 ]
3
[ [ 8.88632742, 0, 0 ], [ 0, 4.99779179, -0.01172938 ], [ 0, 4.45130553, 6.44320985 ] ]
agm005264481
[ [ 7.6760764505782, 4.67138495198443, 4.405735818901708 ], [ 4.44316371, 0, 0 ], [ 3.2329127405781986, 7.00336513301557, 5.247349576098291 ], [ 0, 2.225652765, 3.221604925 ], [ 5.653414679421801, 2.4457321869844297, 1.1841308939017086 ], [ 1.2102509694218018, 4.77771236801557, 2.0257446510982917 ], [ 4.44316371, 4.72454866, 3.2157402349999997 ], [ 0, 2.498895895, -0.00586469 ], [ 7.271813067705268, 5.018459386470778, 1.3678862586532117 ], [ 2.828649357705268, 2.204985168529222, 1.841989286346788 ], [ 6.057678062294733, 7.244112151470778, 4.5894911836532115 ], [ 1.6145143522947325, 4.430637933529222, 5.063594211346788 ], [ 5.728158201394342, 5.2125489677212355, 1.5602540695610445 ], [ 8.038844683247069, 5.525103406881741, 2.5821916212629112 ], [ 5.73610444423658, 5.716792967450582, 4.392632448986765 ], [ 7.678690719241889, 0.8071783063622017, 0.0938237420180915 ], [ 1.2929407342365793, 5.957957117549419, 5.260452946013235 ], [ 3.235527009241889, 6.416266248637799, 3.116051802981908 ], [ 3.5956809732470685, 1.6983411481182593, 0.6276839237370885 ], [ 1.284994491394341, 2.010895587278764, 1.6496214754389553 ], [ 7.601332928605659, 7.438201732721236, 4.781858994561044 ], [ 5.290646446752933, 7.750756171881741, 5.8037965462629115 ], [ 5.650800410758112, 3.0328310713622018, 3.3154286670180912 ], [ 7.593386685763421, 3.4911402024505813, 1.171027523986765 ], [ 1.207636700758112, 8.641919013637798, 6.3376567279819085 ], [ 3.150222975763421, 3.7323043525494186, 2.038848021013235 ], [ 0.8474827367529318, 3.923993913118259, 3.849288848737088 ], [ 3.158169218605659, 4.2365483522787635, 4.871226400438955 ] ]
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "Li", "Li", "Li", "Li", "Li", "Li", "Ti", "Ti", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.21428571428571427, 0.5714285714285714, 0.14285714285714285, 0.07142857142857142 ]
[ [ 0.4732552, 0, 0 ], [ 0, 0.662699, -0.1246828 ], [ 0, -0.12468279, 0.7125196 ] ]
-195.656647
[ 0, 0, 0, 0, 0, 0, 0.907, 0.907, 0.008, 0.008, 0.008, 0.008, -0.003, 0, -0.007, -0.001, -0.007, -0.001, 0, -0.003, -0.003, 0, -0.001, -0.007, -0.001, -0.007, 0, -0.003 ]
[ [ 0.00221476, 0.00002658, 0.00085601 ], [ 0, 0, 0 ], [ 0.00221476, -0.00002658, -0.00085601 ], [ 0, 0, 0 ], [ -0.00221476, 0.00002658, 0.00085601 ], [ -0.00221476, -0.00002658, -0.00085601 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.0017025, -0.00055914, -0.00369783 ], [ 0.0017025, 0.00055914, 0.00369783 ], [ -0.0017025, -0.00055914, -0.00369783 ], [ -0.0017025, 0.00055914, 0.00369783 ], [ 0.00539917, 0.00089103, 0.00183183 ], [ 0.00148665, 0.00073697, -0.00013567 ], [ 0.00045763, -0.00102764, 0.0037647 ], [ 0.00008514, 0.00090257, -0.00137295 ], [ 0.00045763, 0.00102764, -0.0037647 ], [ 0.00008514, -0.00090257, 0.00137295 ], [ 0.00148665, -0.00073697, 0.00013567 ], [ 0.00539917, -0.00089103, -0.00183183 ], [ -0.00539917, 0.00089103, 0.00183183 ], [ -0.00148665, 0.00073697, -0.00013567 ], [ -0.00008514, 0.00090257, -0.00137295 ], [ -0.00045763, -0.00102764, 0.0037647 ], [ -0.00008514, -0.00090257, 0.00137295 ], [ -0.00045763, 0.00102764, -0.0037647 ], [ -0.00148665, -0.00073697, 0.00013567 ], [ -0.00539917, -0.00089103, -0.00183183 ] ]
2.000167
1.838637
pbe
true
a88601b9d6b7db032e08c3316a4f08d0_14_Li6Ti2P4O16
[ "Li", "O", "P", "Ti" ]
36
A12B3C2D
LiO12P3Ti2
Li2 O24 P6 Ti4
4
[ 1, 1, 1 ]
3
[ [ -8.6606882, -0.00496255, 0.03341768 ], [ -4.33365433, -7.50033103, 0.05746378 ], [ -4.35907972, -2.49360972, 7.12647516 ] ]
mp-762322
[ [ -9.283693753329338, -5.913011330607305, 4.921226678632439 ], [ -5.364378431973432, -7.523620795493764, 1.422332912891829 ], [ -13.044554948197625, -5.239253176936786, 6.214480449815689 ], [ -8.681521419395837, -7.78014368678249, 2.6414925059458416 ], [ -8.675417226180922, -2.2722099778408618, 4.592498624264877 ], [ -4.335990398078726, -4.723727066864672, 1.0363328699609657 ], [ -11.801535422540054, -6.804977425401454, 3.4290665003178407 ], [ -10.52300673847024, -2.5055598969190642, 1.8809032055889199 ], [ -9.97096785681112, -4.304571858502295, 6.92174425382316 ], [ -7.470950491693182, -5.726735753351185, 0.3261573619574886 ], [ -6.820404251066883, -7.505836309811181, 5.434219962503467 ], [ -5.577019319539592, -3.2083029061196924, 3.829378168540897 ], [ -14.623231979842478, -8.71302485424136, 5.080182687251656 ], [ -14.622597839688687, -6.273250162527682, 5.799330007003217 ], [ -12.1764384892914, -9.164955398826004, 6.283751858121363 ], [ -12.137201152510759, -5.866121794236965, 4.595739618228295 ], [ -12.464535557754095, -6.355653210695836, 2.0959474744016773 ], [ -12.318838763082752, -8.231773654516648, 3.6568764576703616 ], [ -7.927021551476823, -4.294666295135543, 0.056743793551370596 ], [ -11.499049200799197, -4.2246234042393285, 6.819834477372898 ], [ -10.251787664471529, -6.747038035499989, 3.312479323691437 ], [ -9.612065081917818, -2.050492834884937, 0.7062794405796148 ], [ -9.652790382570632, -2.9618397408601016, 3.0583286407081136 ], [ -9.336111407099937, -3.8753657641518187, 5.569208041436453 ], [ -8.11203600060285, -6.235113098755897, 1.6410270879282478 ], [ -7.787586811687947, -7.067894135971843, 4.286999763978067 ], [ -7.7200866883779256, -7.878854619854678, 6.638286617917838 ], [ -7.111240736057143, -3.2204327320078887, 3.99856614879722 ], [ -5.92432601286544, -5.833208421646445, 0.5260724635339756 ], [ -9.494308365576883, -5.784001688300342, 7.04183241466266 ], [ -5.035283373424242, -1.7906610364069557, 3.5597041974857135 ], [ -4.9516771402953275, -3.7160970655562817, 5.146078431656232 ], [ -5.221967461662978, -4.112937689829465, 2.6329316693469886 ], [ -5.154855413418532, -0.9468631592580605, 0.9721604046055351 ], [ -2.805697273487004, -3.6429103575114747, 1.4657007495878729 ], [ -2.621960941330626, -1.1830477726683664, 2.190034164245306 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]
[ "Li", "Li", "Ti", "Ti", "Ti", "Ti", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2014-02-12 16:51:53
[ 0.05555555555555555, 0.6666666666666666, 0.16666666666666666, 0.1111111111111111 ]
[]
-278.404657
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[]
0
1.785382
pbe
true
95378832514f6444093657afde8779d0_5_Li2Ti4P6O24
[ "Li", "O", "P", "Ti" ]
36
A12B4CD
LiO12P4Ti
Li2 O24 P8 Ti2
4
[ 1, 1, 1 ]
3
[ [ 5.14326043, 0, 0.34701596 ], [ 0, 13.82714474, 0 ], [ -1.04946754, 0, 7.05524869 ] ]
mp-758240
[ [ 2.8393666496614824, 13.652681985686076, 1.0210197512766581 ], [ 1.2544262403385174, 6.739109615686076, 6.381244898723342 ], [ 2.081484773656639, 10.563582532382945, 3.7908018065978197 ], [ 2.012308116343361, 3.6500101623829453, 3.6114628434021805 ], [ -0.39889824631680093, 12.508876651832876, 3.925761743654619 ], [ 4.5843789176192455, 8.60990460026281, 3.563230480356943 ], [ 0.618925377653637, 4.543798595905361, 0.6951359736336733 ], [ 1.021868466839604, 9.385667291713533, 0.868002023309437 ], [ 3.0719244231603957, 2.4720949217135333, 6.5342626266905635 ], [ 3.474867512346363, 11.45737096590536, 6.7071286763663265 ], [ -0.4905860276192458, 1.6963322302628094, 3.839034169643057 ], [ 4.492691136316801, 5.595304281832877, 3.476502906345381 ], [ -0.7329533407053407, 10.212260641300208, 6.746727936231333 ], [ -0.6104825321145528, 12.366454848667718, 5.514236541595538 ], [ -0.7564572234744679, 1.9044286845280982, 5.406316699458347 ], [ 0.00320374955100414, 5.336567984029048, 6.572172340015254 ], [ -0.1346140393149024, 7.0772451119160635, 3.4652975964010273 ], [ 0.2906581950011266, 4.6835064071009525, 3.8535579902953896 ], [ 0.39388714018542126, 9.421792919689942, 4.043253462129782 ], [ 1.0666168314977735, 12.406539602997531, 3.6096606216367535 ], [ 0.9789822499319993, 1.8383065870241815, 3.550135028788573 ], [ 1.741006721138753, 10.33291464704408, 1.8060900052043036 ], [ 1.6793536812737133, 4.009370325788832, 1.6352861631629625 ], [ 1.7952496246904723, 8.278645896197814, 0.24679754805039922 ], [ 2.2985432653095277, 1.365073526197813, 7.155467101949601 ], [ 2.4144392087262867, 10.922942695788834, 5.766978486837037 ], [ 2.352786168861247, 3.41934227704408, 5.596174644795696 ], [ 3.1148054968075707, 8.75187895702418, 3.852129274195467 ], [ 3.027176058502226, 5.492967232997531, 3.7926040283632467 ], [ 3.6999057498145786, 2.508220549689942, 3.3590111878702174 ], [ 3.803134694998873, 11.597078777100952, 3.5487066597046106 ], [ 4.228406929314902, 0.1636727419160644, 3.936967053598973 ], [ 4.090589140448996, 12.25014035402905, 0.8300923099847464 ], [ 4.850250113474467, 8.818001054528098, 1.995947950541653 ], [ 4.704275422114552, 5.452882478667718, 1.8880281084044621 ], [ 4.82674623070534, 3.298688271300209, 0.6555367137686668 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]
[ "Li", "Li", "Ti", "Ti", "P", "P", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2014-05-31 11:18:18
[ 0.05555555555555555, 0.6666666666666666, 0.2222222222222222, 0.05555555555555555 ]
[]
-262.537266
[ 0, 0, 0.896, 0.896, 0.006, 0.006, 0.001, 0.001, 0.001, 0.001, 0.006, 0.006, 0, 0, 0, -0.001, 0.001, 0, 0.001, 0.002, 0.002, -0.006, -0.006, 0, 0, -0.006, -0.006, 0.002, 0.002, 0.001, 0, 0.001, -0.001, 0, 0, 0 ]
[]
1.806
3.628938
pbe
true
8ec0fc5644af880acfe3a0699549881a_4_Li2Ti2P8O24
[ "Li", "O", "P", "Ti" ]
56
A9B2C2D
LiO9P2Ti2
Li4 O36 P8 Ti8
4
[ 1, 1, 1 ]
3
[ [ 6.41052494, 0, 0 ], [ 0, 7.64232098, 0 ], [ 0, 0, 14.06062666 ] ]
mp-1013762
[ [ 4.807893705, 7.277830797992223, 10.877448701968463 ], [ 4.807893705, 4.185650672007777, 3.847135371968464 ], [ 1.6026376455249398, 3.456662665671243, 10.213491288031538 ], [ 1.6026376455249398, 0.364490182007777, 3.183177958031537 ], [ 4.807893705, 2.69871377828816, 12.367017007883405 ], [ 1.6026376455249398, 4.94360720171184, 1.6936096521165966 ], [ 1.6026376455249398, 6.519874268288159, 8.723922982116596 ], [ 4.807893705, 1.1224467117118402, 5.336703677883404 ], [ 3.20526247, 0, 0 ], [ 3.20526247, 3.82116049, 7.03031333 ], [ 0, 3.82116049, 7.03031333 ], [ 0, 0, 0 ], [ 1.6026376455249398, 2.737681055886662, 13.104195838183614 ], [ 4.807893705, 4.904639924113337, 0.9564448824430473 ], [ 4.807893705, 6.558841545886662, 7.986744151816387 ], [ 1.6026376455249398, 1.0834870764343179, 6.073882508183613 ], [ 4.807893705, 2.8814906601974415, 9.701204869632164 ], [ 4.807893705, 0.9396698298025584, 2.6708915396321644 ], [ 1.6026376455249398, 6.7026511501974415, 11.389735120367837 ], [ 1.6026376455249398, 4.7608226774815785, 4.359421790367835 ], [ 0.3225374850946756, 4.647572880612784, 5.238847762399268 ], [ 3.5277935445697355, 2.994740457066236, 8.821778897600733 ], [ 6.087987454905325, 0.8264123906127838, 1.791465567600733 ], [ 2.8827249849053245, 6.815908589387216, 12.269161092399267 ], [ 6.087987454905325, 2.994740457066236, 8.821778897600733 ], [ 2.8827249849053245, 4.647572880612784, 5.238847762399268 ], [ 0.3225374850946756, 6.815908589387216, 12.269161092399267 ], [ 3.5277935445697355, 0.8264123906127838, 1.791465567600733 ], [ 1.6026376455249398, 2.5202749070367556, 6.724173977250886 ], [ 4.807893705, 5.122053715284225, 7.3364526827491146 ], [ 4.807893705, 6.341427754715776, 0.3061252921224546 ], [ 1.6026376455249398, 1.3008932252842247, 13.754487307250887 ], [ 4.807893705, 1.0177419467772033, 13.237627248211547 ], [ 1.6026376455249398, 6.624579033222797, 0.8229853511617921 ], [ 1.6026376455249398, 4.838902436777204, 7.853298681161792 ], [ 4.807893705, 2.8034261855437768, 6.207327978838208 ], [ 4.807893705, 1.5829601348673938, 10.555527701856166 ], [ 1.6026376455249398, 6.059360845132606, 3.5051130187704955 ], [ 1.6026376455249398, 5.404120624867394, 10.535412288143835 ], [ 4.807893705, 2.238207997453586, 3.5252003112295047 ], [ 2.8277617851222585, 0.9581471277751631, 5.1615442649040535 ], [ 6.033024255122259, 6.684173852224837, 8.899082395095947 ], [ 3.5827631548777417, 4.779299975454183, 1.868769065095947 ], [ 0.3775006848777416, 2.863013362224837, 12.191857594904054 ], [ 3.5827631548777417, 6.684173852224837, 8.899082395095947 ], [ 0.3775006848777416, 0.9581471277751631, 5.1615442649040535 ], [ 2.8277617851222585, 2.863013362224837, 12.191857594904054 ], [ 6.033024255122259, 4.779299975454183, 1.868769065095947 ], [ 4.807893705, 3.864769942631384, 13.894699032666807 ], [ 1.6026376455249398, 0.1600777365576956, 10.29491665823213 ], [ 1.6026376455249398, 3.6610751111213244, 3.26460332823213 ], [ 4.807893705, 3.9812382265576955, 10.79602333176787 ], [ 4.807893705, -0.0436094526313838, 6.864385702666806 ], [ 1.6026376455249398, 0.0436094526313838, 7.196240957333194 ], [ 1.6026376455249398, 3.777543395047636, 0.1659135667065342 ], [ 4.807893705, 7.482243243442304, 3.76571000176787 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]
[ "Li", "Li", "Li", "Li", "Ti", "Ti", "Ti", "Ti", "Ti", "Ti", "Ti", "Ti", "P", "P", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2016-10-26 14:36:35
[ 0.07142857142857142, 0.6428571428571429, 0.14285714285714285, 0.14285714285714285 ]
[]
-435.25442
[ 0, 0, 0, 0, 0.186, 0.186, 0.183, 0.183, 0.748, 0.757, 0.754, 0.757, 0.008, 0.007, 0.007, 0.007, 0.001, 0.001, 0.001, 0.001, -0.008, -0.008, -0.008, -0.008, -0.008, -0.008, -0.008, -0.008, -0.006, -0.006, -0.006, -0.006, -0.009, -0.009, -0.009, -0.009, -0.002, -0.002, -0.002, -0.002, -0.002, -0.002, -0.002, -0.002, -0.002, -0.002, -0.002, -0.002, -0.002, -0.004, -0.004, -0.004, -0.003, -0.002, -0.002, -0.004 ]
[]
3.614
4.078216
pbe
true
e6829060d21bbd67af6ce7043644592f_62_Li4Ti8P8O36
[ "Li", "O", "P", "Ti" ]
72
A12B3C2D
LiO12P3Ti2
Li4 O48 P12 Ti8
4
[ 1, 1, 1 ]
3
[ [ 12.02978595, 0, 0 ], [ 0, 8.65444802, 0 ], [ 0, 0, 8.70524223 ] ]
mp-773017
[ [ 8.182795257090499, 1.8483063177214243, 6.76635540224624 ], [ 8.182795257090499, 6.806141702278576, 2.413734287246239 ], [ 9.861883667909503, 2.478917692278576, 2.413734287246239 ], [ 9.861883667909503, 6.175530327721424, 6.76635540224624 ], [ 1.4798295625982505, 2.1662318795046143, 4.666471039013345 ], [ 1.4798295625982505, 6.4882161404953855, 0.3138499240133454 ], [ 4.535063412401749, 6.493455889504615, 4.666471039013345 ], [ 4.535063412401749, 2.1609921304953854, 0.3138499240133454 ], [ 7.347502017142151, 2.2002342537859123, 3.9988846416130177 ], [ 7.347502017142151, 6.454213766214088, 8.351505756613017 ], [ 10.69717690785785, 2.126989756214088, 8.351505756613017 ], [ 10.69717690785785, 6.527458263785912, 3.9988846416130177 ], [ 0.0319047968072925, 0.33542442295722924, 2.1793343233885905 ], [ 0.0319047968072925, 8.31902359704277, 6.53195543838859 ], [ 1.7692953246372498, 5.228745657471692, 3.40423381045041 ], [ 1.7692953246372498, 3.425702362528308, 7.75685492545041 ], [ 4.245597650362751, 0.9015216474716918, 3.40423381045041 ], [ 4.245597650362751, 7.752926372528308, 7.75685492545041 ], [ 5.9829881781927075, 3.9917995870427707, 6.53195543838859 ], [ 5.9829881781927075, 4.662648432957229, 2.1793343233885905 ], [ 7.757028170706498, 0.9056266252565383, 0.9221611953881133 ], [ 7.757028170706498, 7.748821394743461, 5.2747823103881135 ], [ 10.287650754293503, 3.421597384743462, 5.2747823103881135 ], [ 10.287650754293503, 5.232850635256539, 0.9221611953881133 ], [ 0.32341297590488255, 5.727888610324227, 3.7573240066542373 ], [ 0.32341297590488255, 2.9265594096757734, 8.109945121654237 ], [ 0.8832734397206266, 7.41817751578352, 7.421009204737256 ], [ 0.8832734397206266, 1.2362705042164799, 3.068388089737257 ], [ 0.8937201058396065, 0.5385638770391544, 5.635576907122757 ], [ 0.8937201058396065, 8.115884142960846, 1.2829557921227575 ], [ 1.8444511717641559, 3.7058707312122436, 3.5471531693905027 ], [ 1.8444511717641559, 4.948577288787757, 7.899774284390503 ], [ 2.0646488248137573, 3.0139680365105708, 6.310354095762332 ], [ 2.0646488248137573, 5.6404799834894295, 1.957732980762332 ], [ 2.7384687742103058, 2.775830686991607, 0.0528517018888875 ], [ 2.7384687742103058, 5.8786173330083935, 4.405472816888887 ], [ 3.276424200789695, 1.551393323008393, 4.405472816888887 ], [ 3.276424200789695, 7.103054696991607, 0.0528517018888875 ], [ 3.950244150186243, 1.3132559734894294, 1.957732980762332 ], [ 3.950244150186243, 7.341192046510571, 6.310354095762332 ], [ 4.170441803235844, 0.6213532787877567, 7.899774284390503 ], [ 4.170441803235844, 8.033094741212244, 3.5471531693905027 ], [ 5.121172869160394, 4.865787887039155, 5.635576907122757 ], [ 5.121172869160394, 3.788660132960846, 1.2829557921227575 ], [ 5.131619535279373, 5.5634945142164804, 3.068388089737257 ], [ 5.131619535279373, 3.0909535057835202, 7.421009204737256 ], [ 5.691479999095118, 1.4006646003242265, 3.7573240066542373 ], [ 5.691479999095118, 7.253783419675774, 8.109945121654237 ], [ 6.351561211149609, 1.3684748136362375, 0.5805881217069984 ], [ 6.351561211149609, 7.285973206363762, 4.933209236706998 ], [ 6.946227695250207, 3.05879773107625, 5.726720270956323 ], [ 6.946227695250207, 5.595650288923751, 1.3740991559563236 ], [ 6.919045551811166, 3.773496761129484, 3.058550121388289 ], [ 6.919045551811166, 4.880951258870517, 7.41117123638829 ], [ 7.889300238545409, 0.6429593679031272, 5.237700938270671 ], [ 7.889300238545409, 8.011488652096874, 0.8850798232706715 ], [ 8.175434712259134, 1.3784983953330014, 2.3540346065571227 ], [ 8.175434712259134, 7.275949624666998, 6.706655721557122 ], [ 8.749266810072927, 1.5105406069413443, 8.591136700526674 ], [ 8.749266810072927, 7.143907413058656, 4.238515585526673 ], [ 9.295412114927075, 2.8166834030586556, 4.238515585526673 ], [ 9.295412114927075, 5.837764616941344, 8.591136700526674 ], [ 9.869244212740867, 2.9487256146669987, 6.706655721557122 ], [ 9.869244212740867, 5.7057224053330025, 2.3540346065571227 ], [ 10.155378686454593, 3.6842646420968728, 0.8850798232706715 ], [ 10.155378686454593, 4.970183377903127, 5.237700938270671 ], [ 11.125633373188835, 0.5537272488705162, 7.41117123638829 ], [ 11.125633373188835, 8.100720771129485, 3.058550121388289 ], [ 11.098451229749793, 1.2684262789237504, 1.3740991559563236 ], [ 11.098451229749793, 7.38602174107625, 5.726720270956323 ], [ 11.693117713850393, 2.9587491963637627, 4.933209236706998 ], [ 11.693117713850393, 5.6956988236362385, 0.5805881217069984 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]
[ "Li", "Li", "Li", "Li", "Ti", "Ti", "Ti", "Ti", "Ti", "Ti", "Ti", "Ti", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2014-02-19 04:52:47
[ 0.05555555555555555, 0.6666666666666666, 0.16666666666666666, 0.1111111111111111 ]
[]
-557.109696
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[]
0
1.773423
pbe
true
f4189b99652154d45d11d96d1f1b6e4d_29_Li4Ti8P12O48
[ "Li", "O", "P", "Ti" ]
80
A12B3C3D2
Li3O12P3Ti2
Li12 O48 P12 Ti8
4
[ 1, 1, 1 ]
3
[ [ 8.52345877, -0.00343407, 0.13057091 ], [ -0.00365763, 8.90583856, 0.0040842 ], [ 0.04683818, 0.00553954, 12.12400463 ] ]
mp-25935
[ [ 7.989511943037959, 4.345384971364352, 4.336513032461941 ], [ 3.558414046816822, 5.215700034617803, 2.3294425609413074 ], [ 3.7525506596448848, 0.10945193271576228, 10.330897832513028 ], [ 7.842303083312282, 8.143067107712387, 8.457767277323361 ], [ 0.5771273769620399, 4.562559058635648, 7.92214670753806 ], [ 1.5648088652891778, 6.970850872874081, 9.993567979627093 ], [ 2.7635800964241657, 2.5171076769602077, 8.261776195495763 ], [ 5.803059223575834, 6.390836353039791, 3.996883544504236 ], [ 4.8140886603551145, 8.798492097284237, 1.9277619074869718 ], [ 5.008225273183179, 3.6922439953821975, 9.929217179058693 ], [ 0.7243362366877181, 0.7648769222876135, 3.8008924626766394 ], [ 7.001830454710821, 1.9370931571259182, 2.2650917603729077 ], [ 2.0729575840550036, 0.22978310535181445, 1.2976300242313221 ], [ 6.356313731189985, 4.22361238035356, 7.426678041041842 ], [ 2.2095415026983503, 8.588085025801607, 7.368753598765923 ], [ 6.493681735944996, 8.678160924648186, 10.961029715768678 ], [ 6.449161700197371, 4.771583997133979, 1.3693609665074917 ], [ 2.210325588810015, 4.684331649646438, 4.831981698958158 ], [ 6.357097817301649, 0.31985900419839197, 4.889906141234077 ], [ 2.1174776198026275, 4.136360032866021, 10.889298773492508 ], [ 3.3170591701855376, 7.841216349393334, 4.240322549434281 ], [ 8.187581397519548, 6.678982451572227, 6.075054470202021 ], [ 7.603501760930059, 5.519023444262745, 10.366031699804239 ], [ 1.0203301922336954, 0.9770713718314049, 10.313758287969668 ], [ 5.257384159030421, 3.4792870527338184, 4.318514365762758 ], [ 3.3092551609695797, 5.42865697726618, 7.9401453742372405 ], [ 4.617853526182433, 2.225375099573002, 0.18506831404605678 ], [ 7.546309127766304, 7.930872658168595, 1.9449014520303325 ], [ 0.37905792248045267, 2.2289615784277723, 6.183605269797979 ], [ 5.249580149814461, 1.066727680606666, 8.018337190565719 ], [ 0.9631375590699405, 3.388920585737254, 1.8926280401957611 ], [ 3.948785793817566, 6.682568930426997, 12.073591425953943 ], [ 5.3450615451627135, 2.605295942345374, 8.238905576450374 ], [ 5.138171704613582, 1.2384666715253088, 11.204782235679463 ], [ 5.757041042673269, 2.0864853204543783, 3.8697830583063717 ], [ 3.8268627991609288, 3.4791386712133625, 4.867724768023977 ], [ 2.0379214452177123, 0.39700667460011485, 11.352432841494402 ], [ 4.794244600872787, 7.425231502686706, 11.004552378532498 ], [ 0.44812414141074325, 7.762790195542394, 6.712918275435796 ], [ 3.879503077087365, 3.3104879972999166, 11.542771649009907 ], [ 7.474114995486845, 0.0335433051884668, 3.1518113623849495 ], [ 2.2921295086990816, 4.847652890327096, 6.900916241364145 ], [ 2.693962721442182, 6.063008536214087, 11.401254016160573 ], [ 0.5092840368026021, 5.939233540509848, 4.877469910221001 ], [ 5.333274935698056, 4.487708534074647, 3.107383046655352 ], [ 1.957274595099427, 4.196641448731325, 2.742980825758716 ], [ 0.4533636748242171, 7.931708664187848, 1.2649732603513386 ], [ 1.0598648389711338, 1.8501511845780707, 2.111278985013701 ], [ 6.528717874782287, 8.510937355399884, 0.9062268985055966 ], [ 6.931535636214925, 7.299458439450677, 5.404931335447119 ], [ 4.687136242912635, 5.597456032700084, 0.7158880909900938 ], [ 8.113275645175783, 0.9762353658121504, 10.99368647964866 ], [ 3.7723947191272122, 1.4827125273132935, 1.2541073614675013 ], [ 0.5517556015524241, 5.151396064002634, 9.845028381372895 ], [ 7.506774481028867, 7.057792845421928, 10.1473807549863 ], [ 5.872676598557817, 2.8449354937859126, 0.8574057238394261 ], [ 1.1895047988723588, 3.6892278694667158, 0.3942871481344122 ], [ 3.4284676153864178, 7.6694773584746905, 1.0538775043205382 ], [ 8.118515178589258, 1.1451538344576055, 5.5457414645642045 ], [ 1.092524324513155, 8.874400724811533, 9.10684837761505 ], [ 7.3771345211276405, 5.218716160533283, 11.864372591865589 ], [ 3.090734465802011, 8.142352857665552, 5.738438035884332 ], [ 6.243558811192132, 0.25850118975004355, 8.868278310655992 ], [ 7.713922731658128, 5.687438169944083, 7.180780750081126 ], [ 3.7775836935846008, 0.6959405983386088, 8.409418725507459 ], [ 1.6351036837850739, 1.6084855905493227, 6.853728404552881 ], [ 8.014883718447575, 3.756547965997365, 2.413631358627106 ], [ 4.789055626415398, 8.21200343166139, 3.84924101449254 ], [ 5.475904854197989, 0.7655911723344485, 6.520221704115668 ], [ 2.3230805088078674, 8.649442840249955, 3.390381429344008 ], [ 2.80959827732673, 6.821458709545621, 8.388876681693628 ], [ 7.047241526338795, 6.537316856528372, 2.3925818722941603 ], [ 3.233364384301944, 4.420235495925352, 9.151276693344647 ], [ 6.609364724900572, 4.711302581268676, 9.515678914241285 ], [ 1.5193977936612044, 2.3706271734716267, 9.866077867705839 ], [ 3.2215777748372845, 6.302648087654625, 4.019754163549626 ], [ 0.8527165883418714, 3.2205058600559164, 5.077878989918874 ], [ 8.057355283197397, 2.968710489490152, 7.381189829778998 ], [ 4.7397765208390705, 5.428805358786637, 7.390934971976023 ], [ 6.274509811300918, 4.060291139672904, 5.357743498635855 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]
[ "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Ti", "Ti", "Ti", "Ti", "Ti", "Ti", "Ti", "Ti", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2018-07-02 14:25:26
[ 0.15, 0.6, 0.15, 0.1 ]
[ [ 0.16678062, 1.64570589, -0.37606423 ], [ 1.64570606, -3.45788058, -2.44907081 ], [ -0.37606451, -2.44907117, -0.41770091 ] ]
-585.02101
[ 0.001, 0, 0.001, 0, 0.001, 0, 0, 0, 0.001, 0, 0, 0, 0.91, 0.896, 0.906, 0.91, 0.903, 0.896, 0.906, 0.903, 0.007, 0.012, 0.007, 0.008, 0.007, 0.007, 0.012, 0.008, 0.012, 0.007, 0.007, 0.012, -0.005, -0.002, 0, -0.005, -0.004, -0.005, 0.005, 0.006, -0.006, -0.005, -0.003, -0.004, -0.006, -0.002, -0.006, -0.004, -0.004, -0.003, 0.006, -0.006, -0.005, 0.003, -0.004, -0.003, -0.014, -0.002, 0.005, -0.006, -0.014, -0.012, -0.002, -0.002, 0.003, -0.003, 0.003, 0.003, -0.012, -0.002, 0, 0, -0.006, -0.002, 0, -0.005, -0.002, -0.004, -0.005, -0.005 ]
[ [ -0.01182316, -0.02163452, -0.00549068 ], [ 0.06294422, 0.01112593, 0.01931003 ], [ -0.01450008, 0.0257154, 0.00747761 ], [ 0.05339063, -0.00898521, 0.02853496 ], [ 0.01182316, 0.02163452, 0.00549068 ], [ 0.04189525, -0.0581608, 0.01021854 ], [ -0.04707883, -0.05917867, -0.00296702 ], [ 0.04707883, 0.05917867, 0.00296702 ], [ 0.01450008, -0.0257154, -0.00747761 ], [ -0.06294422, -0.01112593, -0.01931003 ], [ -0.05339063, 0.00898521, -0.02853496 ], [ -0.04189525, 0.0581608, -0.01021854 ], [ 0.02449415, 0.03234026, 0.00215132 ], [ 0.03773984, -0.04091688, -0.00991952 ], [ -0.05230345, -0.05578497, 0.0381192 ], [ -0.02449415, -0.03234026, -0.00215132 ], [ -0.02058067, 0.04977622, 0.05150797 ], [ -0.03773984, 0.04091688, 0.00991952 ], [ 0.05230345, 0.05578497, -0.0381192 ], [ 0.02058067, -0.04977622, -0.05150797 ], [ 0.02320549, -0.02783069, 0.05478684 ], [ 0.07378815, -0.03595134, 0.01701647 ], [ 0.01639324, 0.04240574, 0.03972761 ], [ 0.06186676, 0.04631225, -0.00702305 ], [ 0.03388355, -0.01215221, 0.00355689 ], [ -0.03388355, 0.01215221, -0.00355689 ], [ -0.08447937, -0.07111172, 0.02859841 ], [ -0.06186676, -0.04631225, 0.00702305 ], [ -0.07378815, 0.03595134, -0.01701647 ], [ -0.02320549, 0.02783069, -0.05478684 ], [ -0.01639324, -0.04240574, -0.03972761 ], [ 0.08447937, 0.07111172, -0.02859841 ], [ 0.01440019, -0.05336532, -0.07639899 ], [ 0.01388391, 0.03214879, 0.00111567 ], [ -0.02568889, 0.01006152, 0.022325 ], [ 0.02237442, 0.0368757, -0.04917053 ], [ -0.01941598, -0.01916367, 0.02778347 ], [ -0.00114225, 0.02522827, 0.04547462 ], [ 0.0513349, 0.03335705, 0.04766337 ], [ -0.0332648, 0.02607146, -0.04005687 ], [ -0.05915328, 0.06476462, -0.01956688 ], [ 0.00692583, -0.00477035, -0.02269742 ], [ 0.04048904, -0.00810344, -0.06017536 ], [ -0.00749786, -0.02145663, 0.0261851 ], [ 0.05488807, 0.07953813, 0.02686556 ], [ 0.05101546, 0.02809846, 0.01774745 ], [ 0.00804486, 0.06086482, 0.03727128 ], [ 0.01577607, 0.05627123, -0.06621325 ], [ 0.01941598, 0.01916367, -0.02778347 ], [ 0.0484354, 0.00576119, -0.08606804 ], [ 0.0332648, -0.02607146, 0.04005687 ], [ -0.00804486, -0.06086482, -0.03727128 ], [ 0.00114225, -0.02522827, -0.04547462 ], [ -0.0294957, 0.0107205, 0.03061908 ], [ -0.01577607, -0.05627123, 0.06621325 ], [ -0.04048904, 0.00810344, 0.06017536 ], [ 0.02899848, 0.14217435, 0.01252629 ], [ -0.01388391, -0.03214879, -0.00111567 ], [ -0.0513349, -0.03335705, -0.04766337 ], [ 0.05915328, -0.06476462, 0.01956688 ], [ -0.02899848, -0.14217435, -0.01252629 ], [ -0.01765049, 0.12975933, -0.01699061 ], [ 0.05820532, -0.04110262, 0.03604109 ], [ -0.0089632, 0.0252096, -0.00730641 ], [ 0.02910988, 0.0142733, -0.03838009 ], [ -0.0484354, -0.00576119, 0.08606804 ], [ 0.0294957, -0.0107205, -0.03061908 ], [ -0.02910988, -0.0142733, 0.03838009 ], [ 0.01765049, -0.12975933, 0.01699061 ], [ -0.05820532, 0.04110262, -0.03604109 ], [ 0.02568889, -0.01006152, -0.022325 ], [ 0.02420699, 0.02713585, -0.00741028 ], [ -0.05488807, -0.07953813, -0.02686556 ], [ -0.05101546, -0.02809846, -0.01774745 ], [ -0.02420699, -0.02713585, 0.00741028 ], [ -0.01440019, 0.05336532, 0.07639899 ], [ 0.0089632, -0.0252096, 0.00730641 ], [ 0.00749786, 0.02145663, -0.0261851 ], [ -0.02237442, -0.0368757, 0.04917053 ], [ -0.00692583, 0.00477035, 0.02269742 ] ]
7.194
4.733255
pbe
true
dad289cd6e5decc7d77cc9f2aa4a833e_14_Li12Ti8P12O48
[ "Cd", "Ru", "W" ]
4
A2BC
Cd2RuW
Cd2 Ru1 W1
3
[ 1, 1, 1 ]
3
[ [ 3.00950287, 0, 0 ], [ 0, 3.00950287, 0 ], [ 0, 0, 8.0282953 ] ]
agm004004821
[ [ 0, 0, 7.876917055424273 ], [ 1.504751435, 1.504751435, 2.2115114746281916 ], [ 0, 0, 4.268887948640543 ], [ 1.504751435, 1.504751435, 5.713421610741086 ] ]
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}]
[ "Cd", "Cd", "Ru", "W" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 7.14873, 0, 0 ], [ 0, 7.14873, 0 ], [ 0, 0, 6.6694884 ] ]
-23.356874
[ 0, 0, 0, 0 ]
[ [ 0, 0, -0.00593929 ], [ 0, 0, -0.00616895 ], [ 0, 0, 0.00330814 ], [ 0, 0, 0.0088001 ] ]
-0.000002
2.276002
pbe
true
e5cb26537182c83aa880bf89b4a8dd2c_99_Cd2Ru1W1
[ "Li", "O", "P", "U" ]
112
A20B4C3D
LiO20P3U4
Li4 U16 P12 O80
4
[ 1, 1, 1 ]
3
[ [ 9.99251519, 0, 0 ], [ 0, 9.9861618, 0.00743542 ], [ 0, 4.93849397, 17.07466889 ] ]
agm005277334
[ [ 3.709569877682372, 11.221825403042999, 15.572220261359051 ], [ 6.282945312317628, 3.7028303669570004, 1.509884048640951 ], [ 8.705827472682373, 6.172077351957, 10.047218493640951 ], [ 1.2866877173176285, 8.752578418042999, 7.03488581635905 ], [ 6.231452082890825, 3.6987946919756993, 11.825967099362122 ], [ 1.2351944878908243, 13.6951080630243, 13.79347165563788 ], [ 8.835373037659481, 6.327105424093117, 1.0167951244268343 ], [ 6.3338187060271975, 13.768945217714236, 16.09028091857099 ], [ 8.742608622069787, 6.219622226491838, 5.3020603418909635 ], [ 3.761063107109176, 11.2258610780243, 5.2561372106378785 ], [ 6.1533997473405195, 8.796352409093117, 9.554129569426834 ], [ 6.2461641629302145, 8.688869211491838, 13.839394786890963 ], [ 1.2499065679302133, 8.705033543508161, 11.78004396810904 ], [ 3.839115442659481, 6.128303360906883, 7.527974740573167 ], [ 3.6586964839728036, 1.1557105522857625, 0.9918233914290121 ], [ 3.746351027069787, 6.2357865585081615, 3.242709523109038 ], [ 1.1571421523405192, 8.597550345906884, 16.065309185573167 ], [ 8.654954078972803, 11.299698232714237, 7.552946473570988 ], [ 8.757320702109176, 1.2295477069757, 3.288632654362122 ], [ 1.3375611110271972, 3.624957537285762, 9.529157836429013 ], [ 1.254838173951934, 8.713181197878502, 4.351927682125754 ], [ 6.251095768951934, 3.7422275871214974, 4.192842182874247 ], [ 6.268327961322241, 8.754827522986696, 2.2463119392388946 ], [ 3.7679013849543006, 6.186482531193328, 10.766328532479521 ], [ 8.764158979954301, 11.20742022380667, 14.853110222520481 ], [ 8.72044482367776, 11.224074507986696, 10.783646384238894 ], [ 1.2720703663222408, 3.700581262013303, 6.298457925761107 ], [ 3.724187228677759, 6.169828247013303, 14.835792370761109 ], [ 6.2246138050457, 8.73817323880667, 6.3157757775204795 ], [ 3.7414194210480662, 11.182428182878501, 12.889262127125754 ], [ 1.2283562100456997, 3.7172355461933284, 2.2289940874795207 ], [ 8.737677016048066, 6.211474572121497, 12.730176627874247 ], [ 2.8831103302999783, 5.25727705505668, 13.937787662712083 ], [ 7.12828321902273, 2.87043830318316, 3.2311768080695837 ], [ 8.67916304544877, 11.290701635914262, 5.200733957092991 ], [ 7.4812413386927075, 7.557078418882952, 9.542853795863097 ], [ 2.815914862503608, 7.059194854665642, 11.588532273298807 ], [ 5.380999807061178, 4.618067671548377, 3.2271614548888667 ], [ 4.843697568812738, 10.003243183634362, 9.567095841762242 ], [ 6.309609739551233, 13.759948620914262, 13.738068402092992 ], [ 6.267365782034596, 8.661185990235195, 15.64513617862749 ], [ 4.896706762719018, 2.486651365294722, 0.989723328673785 ], [ 3.8200021593046567, 6.156596750575452, 5.1451190503078985 ], [ 9.602522510757389, 10.340622190515367, 15.856966372166426 ], [ 0.34854312668357984, 9.618459822385267, 3.4917991840701554 ], [ 7.837971033295998, 7.111207416654916, 13.605502197433665 ], [ 3.777825551340401, 11.246529833409852, 7.0516619369399525 ], [ 9.64397206331642, 5.306195947614733, 13.590305125929847 ], [ 7.109404859700022, 9.667378714943318, 3.1443166472879187 ], [ 2.484983743692707, 9.836824336117047, 16.076584959136905 ], [ 2.4537132665822727, 9.829334200841698, 1.0074271449674719 ], [ 9.83995516381274, 7.390659571365637, 16.052342913237762 ], [ 5.3089608672270625, 9.578052475382368, 5.420001128477907 ], [ 7.5388019234177275, 5.095321569158302, 16.07467716503253 ], [ 1.3133521445512322, 3.633954134085737, 11.88137035290701 ], [ 9.892964357719018, 9.968757419705277, 7.555046536326215 ], [ 5.148817621187262, 4.921412586365637, 7.5150084682377605 ], [ 3.725149407965404, 6.263469779764805, 1.4369681313725118 ], [ 0.31270327222706257, 2.877356309617633, 3.124768736522094 ], [ 2.542544328417727, 12.298581185841698, 9.544761589967472 ], [ 1.2711081870345957, 8.732716764764804, 9.974302576372512 ], [ 4.606264915757389, 7.053280564484633, 9.762472382833577 ], [ 7.5075314463072935, 5.087831433882952, 1.0055193508630977 ], [ 9.581238853103297, 12.063660984069475, 9.775293276723836 ], [ 5.095808427280983, 12.438004404705277, 16.09238098132622 ], [ 2.99251268338163, 5.270543509563195, 9.755683142273764 ], [ 0.3969835427946871, 4.653118339901349, 5.480168401241644 ], [ 7.150801751704003, 4.641960431654916, 5.068167752433664 ], [ 5.393241137794687, 7.8022904450986506, 3.064601463758357 ], [ 7.988770278381631, 12.123359245436804, 15.863755612726239 ], [ 6.2146896386596, 3.678125936590147, 10.03044237306005 ], [ 7.176600327496393, 7.865460915334356, 5.493572036701195 ], [ 0.4112763368967036, 2.860994785930524, 7.3068110332761655 ], [ 2.1320256240227295, 9.584970481816839, 5.313593056930418 ], [ 4.611515382938823, 10.306588098451622, 13.854942855111135 ], [ 2.0037449116183703, 2.8012965245631953, 1.218348697273762 ], [ 2.8642319709772703, 12.054217466816839, 13.850927501930418 ], [ 5.407533931896704, 9.594413999069475, 1.2379588317238353 ], [ 2.841713438295998, 10.282695338345084, 12.013936557566337 ], [ 2.1803427324963924, 4.589947869665643, 3.0511978282988057 ], [ 2.113147264700022, 2.788030070056681, 5.400453217712083 ], [ 2.8036173738347308, 6.948958373679537, 15.839738982765443 ], [ 0.3899926792426112, 4.584033579484633, 1.2251379378335758 ], [ 7.879367925299979, 12.136625699943318, 11.68165109228792 ], [ 0.09955083228098262, 4.955898350294722, 9.527057773673786 ], [ 2.511273851307293, 7.367577351117047, 7.539250514136903 ], [ 0.38474221206117765, 7.837341113451622, 5.317608410111134 ], [ 9.607772977938822, 7.087314656548377, 11.764495899888868 ], [ 8.816259754304657, 6.2988120344245475, 3.3996508146921025 ], [ 6.1725130306953435, 8.768059019424546, 11.936985259692102 ], [ 5.386250274242612, 7.871375205515366, 7.319631927166425 ], [ 0.15256002618726172, 7.533996198634363, 1.0297613967622408 ], [ 4.599274052205313, 7.122365324901349, 14.017502846241644 ], [ 4.64771446831642, 12.087706807385265, 12.029133629070156 ], [ 5.344800721683581, 2.8369489626147333, 5.052970680929845 ], [ 9.595531647205313, 10.27153743009865, 11.601935908758358 ], [ 8.7740831463404, 1.208878951590147, 1.4931079280600488 ], [ 4.584981258103297, 5.330241770930524, 15.844145478276166 ], [ 2.1926402211652696, 4.479711388679537, 7.302404537765443 ], [ 7.4499708615822735, 2.6260745841583018, 7.537342720032529 ], [ 7.00000250661837, 9.654112260436804, 7.326421167726239 ], [ 7.812172457503608, 10.334707900334356, 14.030906481701196 ], [ 3.6829054504487684, 1.1647071490857372, 3.34403590790701 ], [ 2.1545441567040022, 7.813448353345084, 3.476602112566337 ], [ 9.679811917772938, 12.047299460382368, 13.957335573477907 ], [ 8.721407002965405, 6.191939005235194, 7.10780173362749 ], [ 4.683554322772938, 5.3466032946176325, 11.662103181522095 ], [ 1.1762554356953436, 8.625843735575453, 13.6824534953079 ], [ 7.799874968834731, 10.444944381320463, 9.77969977223456 ], [ 1.2184320436595995, 13.715776818409852, 15.588996381939953 ], [ 7.18889781616527, 7.975697396320462, 1.242365327234558 ], [ 7.860489565977271, 5.33968528818316, 11.768511253069585 ] ]
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "Li", "Li", "Li", "Li", "U", "U", "U", "U", "U", "U", "U", "U", "U", "U", "U", "U", "U", "U", "U", "U", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.03571428571428571, 0.7142857142857143, 0.10714285714285714, 0.14285714285714285 ]
[ [ 0.66375893, 0, 0 ], [ 0, 0.6288182, 0.02179236 ], [ 0, 0.0217923, 0.5758147 ] ]
-955.780777
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ -0.00046455, -0.00009512, -0.00244752 ], [ 0.00046455, 0.00009512, 0.00244752 ], [ -0.00046455, 0.00009512, 0.00244752 ], [ 0.00046455, -0.00009512, -0.00244752 ], [ 0.00033137, 0.00025257, -0.00279632 ], [ 0.00033137, -0.00025257, 0.00279632 ], [ -0.00000538, 0.00097903, -0.00036202 ], [ -0.00019421, 0.0002684, -0.00065632 ], [ -0.00036999, -0.00074567, 0.0018595 ], [ -0.00033137, -0.00025257, 0.00279632 ], [ 0.00000538, 0.00097903, -0.00036202 ], [ 0.00036999, -0.00074567, 0.0018595 ], [ 0.00036999, 0.00074567, -0.0018595 ], [ -0.00000538, -0.00097903, 0.00036202 ], [ 0.00019421, -0.0002684, 0.00065632 ], [ -0.00036999, 0.00074567, -0.0018595 ], [ 0.00000538, -0.00097903, 0.00036202 ], [ 0.00019421, 0.0002684, -0.00065632 ], [ -0.00033137, 0.00025257, -0.00279632 ], [ -0.00019421, -0.0002684, 0.00065632 ], [ -0.00105393, -0.00117659, -0.00074592 ], [ -0.00105393, 0.00117659, 0.00074592 ], [ 0.00160665, -0.00025583, -0.001611 ], [ -0.00055287, 0.00030835, -0.00218733 ], [ -0.00055287, -0.00030835, 0.00218733 ], [ -0.00160665, -0.00025583, -0.001611 ], [ 0.00160665, 0.00025583, 0.001611 ], [ -0.00160665, 0.00025583, 0.001611 ], [ 0.00055287, -0.00030835, 0.00218733 ], [ 0.00105393, -0.00117659, -0.00074592 ], [ 0.00055287, 0.00030835, -0.00218733 ], [ 0.00105393, 0.00117659, 0.00074592 ], [ -0.00167302, 0.00257341, -0.00100918 ], [ -0.00182204, 0.00042632, 0.00234716 ], [ 0.00260684, -0.0018143, 0.00025934 ], [ 0.0018322, -0.00153191, 0.00170893 ], [ 0.00028141, 0.00099986, -0.00048478 ], [ -0.0011663, -0.00330654, 0.00388947 ], [ -0.00133849, 0.00093188, -0.00097832 ], [ -0.00260684, -0.0018143, 0.00025934 ], [ -0.00000423, 0.00076642, -0.00054852 ], [ 0.00121363, -0.00097476, 0.00137104 ], [ -0.00228617, 0.0009984, -0.00070522 ], [ 0.00051167, 0.00239027, -0.00081223 ], [ 0.00347354, -0.00210861, -0.00005575 ], [ 0.00455715, -0.00255837, -0.00213506 ], [ -0.00035491, -0.00064943, 0.00205923 ], [ -0.00347354, 0.00210861, 0.00005575 ], [ 0.00167302, -0.00257341, 0.00100918 ], [ 0.0018322, 0.00153191, -0.00170893 ], [ -0.00124419, 0.00011906, 0.0010636 ], [ -0.00133849, -0.00093188, 0.00097832 ], [ -0.0008376, 0.00085112, -0.00087676 ], [ 0.00124419, -0.00011906, -0.0010636 ], [ -0.00260684, 0.0018143, -0.00025934 ], [ 0.00121363, 0.00097476, -0.00137104 ], [ 0.00133849, -0.00093188, 0.00097832 ], [ 0.00000423, -0.00076642, 0.00054852 ], [ -0.0008376, -0.00085112, 0.00087676 ], [ 0.00124419, 0.00011906, 0.0010636 ], [ -0.00000423, -0.00076642, 0.00054852 ], [ 0.00051167, -0.00239027, 0.00081223 ], [ -0.0018322, -0.00153191, 0.00170893 ], [ -0.00203178, -0.00238221, 0.00208921 ], [ -0.00121363, 0.00097476, -0.00137104 ], [ 0.00012883, 0.00323024, 0.00169292 ], [ -0.00346409, 0.00094504, 0.00074748 ], [ -0.00455715, -0.00255837, -0.00213506 ], [ -0.00346409, -0.00094504, -0.00074748 ], [ 0.00012883, -0.00323024, -0.00169292 ], [ 0.00035491, 0.00064943, -0.00205923 ], [ -0.00028141, -0.00099986, 0.00048478 ], [ 0.00203178, 0.00238221, -0.00208921 ], [ -0.00182204, -0.00042632, -0.00234716 ], [ 0.0011663, 0.00330654, -0.00388947 ], [ -0.00012883, 0.00323024, 0.00169292 ], [ 0.00182204, -0.00042632, -0.00234716 ], [ 0.00203178, -0.00238221, 0.00208921 ], [ 0.00455715, 0.00255837, 0.00213506 ], [ -0.00028141, 0.00099986, -0.00048478 ], [ 0.00167302, 0.00257341, -0.00100918 ], [ 0.00061999, -0.00076941, -0.00039297 ], [ -0.00051167, -0.00239027, 0.00081223 ], [ -0.00167302, -0.00257341, 0.00100918 ], [ -0.00121363, -0.00097476, 0.00137104 ], [ -0.0018322, 0.00153191, -0.00170893 ], [ -0.0011663, 0.00330654, -0.00388947 ], [ 0.0011663, -0.00330654, 0.00388947 ], [ -0.00228617, -0.0009984, 0.00070522 ], [ 0.00228617, -0.0009984, 0.00070522 ], [ -0.00051167, 0.00239027, -0.00081223 ], [ 0.00133849, 0.00093188, -0.00097832 ], [ 0.00346409, 0.00094504, 0.00074748 ], [ -0.00347354, -0.00210861, -0.00005575 ], [ 0.00347354, 0.00210861, 0.00005575 ], [ 0.00346409, -0.00094504, -0.00074748 ], [ -0.00035491, 0.00064943, -0.00205923 ], [ -0.00203178, 0.00238221, -0.00208921 ], [ -0.00061999, -0.00076941, -0.00039297 ], [ -0.00124419, -0.00011906, -0.0010636 ], [ -0.00012883, -0.00323024, -0.00169292 ], [ 0.00028141, -0.00099986, 0.00048478 ], [ 0.00260684, 0.0018143, -0.00025934 ], [ -0.00455715, 0.00255837, 0.00213506 ], [ 0.0008376, 0.00085112, -0.00087676 ], [ 0.00000423, 0.00076642, -0.00054852 ], [ 0.0008376, -0.00085112, 0.00087676 ], [ 0.00228617, 0.0009984, -0.00070522 ], [ 0.00061999, 0.00076941, 0.00039297 ], [ 0.00035491, -0.00064943, 0.00205923 ], [ -0.00061999, 0.00076941, 0.00039297 ], [ 0.00182204, 0.00042632, 0.00234716 ] ]
0.000014
0
pbe
true
7be1c09847adff2dc97c2761c7f7d7ad_14_Li4U16P12O80
[ "Be", "K", "Rb" ]
5
A3BC
Be3KRb
K1 Rb1 Be3
3
[ 1, 1, 1 ]
3
[ [ 6.07648273, 0, 0 ], [ 0, 6.07648273, 0 ], [ 0, 0, 6.07648273 ] ]
agm002419257
[ [ 0, 3.038241365, 0 ], [ 0, 0, 3.038241365 ], [ 3.038241365, 0, 0 ], [ 3.038241365, 3.038241365, 3.038241365 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}]
[ "Be", "Be", "Be", "K", "Rb" ]
2023-11-16 06:57:59
[ 0.6, 0.2, 0.2 ]
[ [ 0.0303208, 0, 0 ], [ 0, 0.0303208, 0 ], [ 0, 0, 0.0303208 ] ]
-3.851133
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0
4.476552
pbe
true
31054cf9152408291c654602463d156c_221_K1Rb1Be3
[ "Li", "O", "P", "V" ]
32
A10B3C2D
Li2O10P3V
Li4 V2 P6 O20
4
[ 1, 1, 1 ]
3
[ [ 8.15222132, 0.09250205, 0.00112304 ], [ 4.95777368, 6.47207457, 0.00112304 ], [ 5.34194174, 2.67487408, 7.69634893 ] ]
agm003240837
[ [ 14.678408559065582, 7.354030946645109, 7.335670701664725 ], [ 12.010721804850837, 6.010035259524473, 3.487496236664725 ], [ 6.441214935149163, 3.229415440475527, 4.211098773335276 ], [ 3.7735281809344174, 1.8854197533548904, 0.362924308335275 ], [ 10.046283988262621, 6.317280018333682, 5.7733847375 ], [ 8.40565275173738, 2.9221706816663175, 1.9252102725 ], [ 13.039826960884193, 5.061971762014487, 6.263034927238738 ], [ 9.193852190472771, 6.071113360554176, 2.4148604622387375 ], [ 12.00899398637556, 2.3975880465815487, 5.7733847375 ], [ 6.4429427536244415, 6.841862653418451, 1.9252102725 ], [ 9.25808454952723, 3.168337339445824, 5.283734547761263 ], [ 5.4121097791158075, 4.177478937985513, 1.4355600827612627 ], [ 16.522686857434575, 7.612606627678314, 6.5212622071221 ], [ 13.3226053775849, 7.3318466370593525, 2.6730877421220995 ], [ 13.781688468283315, 8.543526736539256, 6.1967307380841845 ], [ 13.404595570637287, 5.725934632453682, 7.584263026064221 ], [ 11.94285017871481, 5.866614404186483, 5.49586994806398 ], [ 12.425958644536074, 4.5794460380912625, 2.348556273084184 ], [ 12.294167752280472, 3.6354507687425492, 6.735072849495095 ], [ 9.944007684357523, 5.965427185947591, 3.7360885610642214 ], [ 9.180970152496347, 4.710730364951178, 1.6476954830639794 ], [ 10.846998936400814, 2.9108089542661815, 4.811696625504905 ], [ 7.604937803599188, 6.328641745733819, 2.8868983844950953 ], [ 9.270966587503654, 4.528720335048822, 6.05089952693602 ], [ 8.507929055642478, 3.2740235140524088, 3.9625064489357786 ], [ 6.157768987719528, 5.6039999312574515, 0.9635221605049049 ], [ 6.025978095463925, 4.660004661908737, 5.350038736915816 ], [ 6.509086561285192, 3.3728362958135176, 2.202725061936021 ], [ 5.0473411693627135, 3.5135160675463184, 0.1143319839357788 ], [ 4.6702482717166856, 0.695923963460743, 1.501864271915816 ], [ 5.129331362415102, 1.9076040629406472, 5.0255072678779005 ], [ 1.9292498825654278, 1.6268440723216866, 1.1773328028779004 ] ]
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]
[ "Li", "Li", "Li", "Li", "V", "V", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.125, 0.625, 0.1875, 0.0625 ]
[ [ 0.59371483, 0.02190866, 0.00755125 ], [ 0.02190866, 0.5609318, 0.00378114 ], [ 0.00755135, 0.00378119, 0.47816247 ] ]
-225.071461
[ 0, 0, 0, 0, 1.911, 1.911, 0.004, 0.004, 0.002, 0.002, 0.004, 0.004, -0.004, -0.004, -0.003, 0.001, -0.012, -0.003, 0.001, 0.001, -0.012, 0.001, 0.001, -0.012, 0.001, 0.001, -0.003, -0.012, 0.001, -0.003, -0.004, -0.004 ]
[ [ 0.0015715, -0.0012409, -0.00238181 ], [ -0.00005216, 0.00200168, -0.00238181 ], [ 0.00005216, -0.00200168, 0.00238181 ], [ -0.0015715, 0.0012409, 0.00238181 ], [ -0.0015695, 0.00313442, 0 ], [ 0.0015695, -0.00313442, 0 ], [ 0.00162598, -0.00041266, -0.00034107 ], [ 0.00064365, 0.00154913, -0.00034107 ], [ 0.00025672, -0.00051269, 0 ], [ -0.00025672, 0.00051269, 0 ], [ -0.00064365, -0.00154913, 0.00034107 ], [ -0.00162598, 0.00041266, 0.00034107 ], [ 0.00093949, 0.00134169, -0.00020131 ], [ 0.0016371, -0.00005151, -0.00020131 ], [ 0.00280804, 0.00115319, -0.000194 ], [ -0.00117862, 0.00174376, -0.00096992 ], [ 0.00056608, 0.00030949, -0.00065319 ], [ 0.00260556, 0.00155756, -0.000194 ], [ -0.00046325, -0.00193264, -0.00101699 ], [ 0.00069016, -0.00198834, -0.00096992 ], [ 0.00058693, 0.00026786, -0.00065319 ], [ 0.00182498, -0.00078685, 0.00101699 ], [ -0.00182498, 0.00078685, -0.00101699 ], [ -0.00058693, -0.00026786, 0.00065319 ], [ -0.00069016, 0.00198834, 0.00096992 ], [ 0.00046325, 0.00193264, 0.00101699 ], [ -0.00260556, -0.00155756, 0.000194 ], [ -0.00056608, -0.00030949, 0.00065319 ], [ 0.00117862, -0.00174376, 0.00096992 ], [ -0.00280804, -0.00115319, 0.000194 ], [ -0.0016371, 0.00005151, 0.00020131 ], [ -0.00093949, -0.00134169, 0.00020131 ] ]
3.999999
0
pbe
true
4c30d01804dd6b1397958784f0fad617_15_Li4V2P6O20
[ "Cd", "Si", "Y" ]
4
A2BC
CdSi2Y
Y1 Cd1 Si2
3
[ 1, 1, 1 ]
3
[ [ 5.74916639, -0.00211145, -0.00467622 ], [ 2.89900861, 4.96474247, 0.00467622 ], [ -4.14510148, -2.79322552, 2.84059245 ] ]
agm003888753
[ [ 1.5013122005835, 2.3047911683198685, 1.422634335 ], [ 4.129095299569999, 1.9548034692235277, 2.84059245 ], [ 3.2194139178019996, -0.010488850629259083, 1.417958115 ], [ 4.4804131220445, 2.571020723085863, -7.222380040401433e-20 ] ]
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
[ "Cd", "Si", "Si", "Y" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ 2.2666407, -0.02495911, 0.02100456 ], [ -0.02495911, 2.2958133, -0.03660247 ], [ 0.02100456, -0.03660247, 2.2993128 ] ]
-19.134609
[ 0, 0, 0, 0 ]
[ [ 0.00202753, 0.00116347, 0 ], [ -0.00632952, -0.0036321, 0 ], [ 0.00250899, 0.00143975, 0 ], [ 0.001793, 0.00102889, 0 ] ]
0
1.07892
pbe
true
3d4a4363962c633147a912f97cdda602_44_Y1Cd1Si2
[ "Cd", "Sm", "Tl" ]
4
A2BC
Cd2SmTl
Sm1 Tl1 Cd2
3
[ 1, 1, 1 ]
3
[ [ 3.92578589, 0, 0 ], [ 0, 3.92578589, 0 ], [ 0, 0, 6.96893624 ] ]
agm001125634
[ [ 1.962892945, 1.962892945, 0 ], [ 1.962892945, 1.962892945, 3.48446812 ], [ 0, 0, 5.256899347310906 ], [ 0, 0, 1.7120368926890934 ] ]
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}]
[ "Tl", "Sm", "Cd", "Cd" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 4.942342, 0, 0 ], [ 0, 4.942342, 0 ], [ 0, 0, 5.086776 ] ]
-9.578919
[ 0.002, 0.165, 0.006, 0.006 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.01547584 ], [ 0, 0, 0.01547584 ] ]
0.36425
2.553393
pbe
true
9d0220816e066e1b02bbe38926ea5851_123_Sm1Tl1Cd2
[ "Cd", "Ta", "Tc" ]
4
A2BC
Cd2TaTc
Ta1 Cd2 Tc1
3
[ 1, 1, 1 ]
3
[ [ 3.47301032, 0, 0 ], [ 0, 4.30918792, 0 ], [ 0, 0, 4.81729284 ] ]
agm004084623
[ [ 0, 0, 0 ], [ 1.73650516, 2.15459396, 0 ], [ 1.73650516, 0, 2.40864642 ], [ 0, 2.15459396, 2.40864642 ] ]
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}]
[ "Cd", "Cd", "Ta", "Tc" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 6.1757684, 0, 0 ], [ 0, 6.2082195, 0 ], [ 0, 0, 5.7180815 ] ]
-22.870606
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000056
2.013413
pbe
true
e326723ad4d0e249dbc4cb323a125e22_47_Ta1Cd2Tc1
[ "Cd", "Ta", "Te" ]
3
ABC
CdTaTe
Ta1 Cd1 Te1
3
[ 1, 1, 1 ]
3
[ [ 4.84568361, 0, 0 ], [ 2.42284181, 4.19648511, 0 ], [ 2.42284181, 1.39882837, 3.9564841 ] ]
agm004061584
[ [ 2.4228418074999998, 1.39882837, 0.989121025 ], [ 4.8456836149999996, 2.79765674, 1.97824205 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}]
[ "Cd", "Te", "Ta" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 2.411323, 0, 0 ], [ 0, 2.411323, 0 ], [ 0, 0, 2.411323 ] ]
-12.093416
[ 0.042, -0.039, 1.405 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
2.044525
3.246589
pbe
true
983eab0096a6dbace107c06b7c0fa651_216_Ta1Cd1Te1
[ "Cd", "Ta", "W" ]
4
A2BC
CdTa2W
Ta2 Cd1 W1
3
[ 1, 1, 1 ]
3
[ [ 10.33523954, -0.00601847, -0.00352053 ], [ 9.93312278, 2.85487028, -0.00352053 ], [ 9.93312278, 1.39616583, 2.49018427 ] ]
agm004196240
[ [ 7.500042614184807, 1.054180385254175, 0.6166478181605597 ], [ 15.065273925898557, 2.117523471283584, 1.238655401614176 ], [ 0.037687527211737, 0.0052972301624268, 0.0030986399174627003 ], [ 22.699223582704896, 3.1905253732998142, 1.8663129553078015 ] ]
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]
[ "Cd", "W", "Ta", "Ta" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ 4.225186, 0.02207631, 0.01291364 ], [ 0.02207631, 4.071225, 0.0018151 ], [ 0.01291364, 0.0018151, 4.069184 ] ]
-35.954484
[ 0, 0, 0, 0 ]
[ [ 0.00105708, 0.00014858, 0.00008691 ], [ -0.0035849, -0.00050388, -0.00029475 ], [ -0.00049291, -0.00006928, -0.00004053 ], [ 0.00302073, 0.00042458, 0.00024836 ] ]
0.000005
3.018114
pbe
true
7c69c7b47d324b65082695fe9ed1db61_160_Ta2Cd1W1
[ "Bi", "Cs", "Zn" ]
11
A5B4C2
Bi4Cs5Zn2
Cs5 Zn2 Bi4
3
[ 1, 1, 1 ]
3
[ [ 4.76382815, 0, 0 ], [ 0, 9.71921281, -3.57511869 ], [ -2.38191407, -6.98659723, 14.39899042 ] ]
agm003363097
[ [ 1.6708026089727218e-9, 5.919903080856798, 1.775218243553596 ], [ 2.3819140783291974, -3.187287500856798, 9.048653486446405 ], [ -2.214411214136836e-8, 0.11939645824106235, 3.9188766798075667 ], [ 2.381914075, 0, 0 ], [ 2.381914102144112, 2.6132191217589376, 6.904995050192434 ], [ 2.3819116937496383, 3.4445223523059623, 0.3031822271046926 ], [ 0.000002386250361905054, -0.7119067723059623, 10.520689502895308 ], [ 2.381916482476496, 3.060406596156989, 2.9985248575008487 ], [ -0.0000023819102333998107, 6.333587598218205, -2.320660623835856 ], [ -0.000002402476496065709, -0.32779101615698886, 7.825346872499152 ], [ 2.3819164619102335, -3.6009720182182057, 13.144532353835856 ] ]
[{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]
[ "Cs", "Cs", "Cs", "Cs", "Cs", "Zn", "Zn", "Bi", "Bi", "Bi", "Bi" ]
2023-11-16 06:57:59
[ 0.36363636363636365, 0.45454545454545453, 0.18181818181818182 ]
[ [ 0.2809353, 0, 0 ], [ 0, 0.2542303, -0.12731847 ], [ 0, -0.12731849, 0.32792374 ] ]
-24.473191
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, -0.00179281, 0.00232881 ], [ 0, 0.00179281, -0.00232881 ], [ 0, 0.00203723, -0.0001247 ], [ 0, 0, 0 ], [ 0, -0.00203723, 0.0001247 ], [ 0, 0.0000011, 0.00196772 ], [ 0, -0.0000011, -0.00196772 ], [ 0, -0.00038159, -0.00279816 ], [ 0, -0.00052126, 0.00406517 ], [ 0, 0.00038159, 0.00279816 ], [ 0, 0.00052126, -0.00406517 ] ]
-0.000005
3.416148
pbe
true
2adc5aade43d17330dd56db3387b8f44_12_Cs5Zn2Bi4
[ "Bi", "Cu", "Sr" ]
5
A3BC
BiCuSr3
Sr3 Cu1 Bi1
3
[ 1, 1, 1 ]
3
[ [ 6.35649133, 0, 0 ], [ 0, 6.35649133, 0 ], [ 0, 0, 6.35649133 ] ]
agm002464795
[ [ 0, 3.178245665, 0 ], [ 0, 0, 3.178245665 ], [ 3.178245665, 0, 0 ], [ 0, 0, 0 ], [ 3.178245665, 3.178245665, 3.178245665 ] ]
[{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]
[ "Sr", "Sr", "Sr", "Bi", "Cu" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.6 ]
[ [ -0.46895742, 0, 0 ], [ 0, -0.46895742, 0 ], [ 0, 0, -0.46895742 ] ]
-12.623545
[ -0.001, 0, 0.001, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000417
3.978273
pbe
true
262fea9f471541411293df02d1d2977f_221_Sr3Cu1Bi1
[ "Cd", "Tc", "Zn" ]
4
A2BC
CdTc2Zn
Zn1 Cd1 Tc2
3
[ 1, 1, 1 ]
3
[ [ 4.55176423, 0, 0 ], [ 0, 2.69112818, 0.00076269 ], [ 0, 1.15124989, 5.17478096 ] ]
agm004130773
[ [ 2.275882115, 2.8817835525000004, 3.8816577375 ], [ 0, 0.027205130155768704, 0.0863058683195603 ], [ 0, 1.8939839048442313, 2.5014659566804394 ], [ 2.275882115, 0.9605945175000001, 1.2938859125 ] ]
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Cd", "Tc", "Tc", "Zn" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ 5.936774, 0, 0 ], [ 0, 5.9852867, 0.13503838 ], [ 0, 0.13503821, 5.8502464 ] ]
-21.43149
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0.0036086, -0.0021991 ], [ 0, -0.0036086, 0.0021991 ], [ 0, 0, 0 ] ]
-0.000001
3.89241
pbe
true
8e1d3f9ae4fabf0c4f88fe67553c2a53_10_Zn1Cd1Tc2
[ "Pm", "Sm", "Tm" ]
11
A5B3C3
Pm5Sm3Tm3
Pm5 Sm3 Tm3
3
[ 1, 1, 1 ]
3
[ [ 5.54115416, 0, 0 ], [ 0, 9.74395317, 0 ], [ 0, -4.87197659, 8.43851098 ] ]
agm003375514
[ [ 2.77057708, -5.205309950890279e-8, 5.625674014795037 ], [ 2.77057708, 4.871976632053099, 2.8128369652049634 ], [ 2.77057708, 1.3124204565248014, 2.2731789143290895 ], [ 2.77057708, -3.559556130781383, 6.16533206567091 ], [ 2.77057708, 7.119112254256581, 0 ], [ 0, 2.1325463393109043, 3.6936786136262327 ], [ 0, 5.478860487001021, 0 ], [ 0, -2.7394302463119264, 4.7448323663737675 ], [ 2.77057708, 3.077960848784072, 5.331184580217032 ], [ 2.77057708, -1.794015734898244, 3.107326399782968 ], [ 2.77057708, 3.5880314661141717, 0 ] ]
[{"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}]
[ "Pm", "Pm", "Pm", "Pm", "Pm", "Sm", "Sm", "Sm", "Tm", "Tm", "Tm" ]
2023-11-16 06:57:59
[ 0.45454545454545453, 0.2727272727272727, 0.2727272727272727 ]
[ [ 1.1480219, 0, 0 ], [ 0, 1.109407, 0 ], [ 0, 0, 1.109407 ] ]
-42.909963
[ 0, 0, 0.001, 0.001, 0.001, 0.001, 0.001, 0.001, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.00423294, 0.00733166 ], [ 0, 0.00423294, -0.00733166 ], [ 0, -0.00846587, 0 ], [ 0, -0.00257626, -0.00446222 ], [ 0, 0.00515253, 0 ], [ 0, -0.00257626, 0.00446222 ], [ 0, 0.00010086, 0.00017469 ], [ 0, 0.00010086, -0.00017469 ], [ 0, -0.00020171, 0 ] ]
0.005393
18.463205
pbe
true
54c4ea2bd99b1265d013c0920ae748e8_189_Pm5Sm3Tm3
[ "Li", "O", "P", "W" ]
32
A5BCD
LiO5PW
Li4 O20 P4 W4
4
[ 1, 1, 1 ]
3
[ [ 0, -5.45764924, 0 ], [ 8.11985326, -2.72882512, 6.41939185 ], [ -2.74448998, -2.72882512, 6.47020114 ] ]
mp-758385
[ [ -0.028404170000000173, -5.45764974, 6.4574988175 ], [ 1.3438408199999998, -4.09323718, 3.2223982475 ], [ 4.03152246, -6.8220623, 9.667194742500001 ], [ 5.403767449999999, -2.72882512, 6.4320941725 ], [ -0.02422872755983187, -1.3315508647736534, 1.6156080264352057 ], [ 2.7119103675598315, -6.854923495226347, 4.829188468564795 ], [ 2.6634529124401682, -4.126099125404937, 8.060404521435206 ], [ 5.399592007559831, -9.518025474595063, 11.273984963564795 ], [ -1.37224499, -4.060572385227706, 3.23510057 ], [ -0.028404170000000173, -2.72882512, 6.4574988175 ], [ 1.3154366499999997, -6.854727094772294, 9.679897065 ], [ 5.403767449999999, -5.45764974, 6.4320941725 ], [ -1.4844788609332884, -6.774062872855089, 5.785106740711036 ], [ -1.4286690788503822, -4.022074660913146, 7.305034507521349 ], [ 0.11535790241291702, -7.003531659569457, 8.076070089507205 ], [ -0.05871422918552653, -5.51747981450841, 2.5083515029567605 ], [ -0.007878889039758441, -2.637410439541535, 2.4415954656852343 ], [ -0.17216624241291714, -3.911767820430544, 4.838927545492796 ], [ 1.4276705209332883, -4.1412366071449105, 7.129890894288964 ], [ 1.3718607388503818, -6.893224819086855, 5.609963127478651 ], [ 2.679802750960241, -8.277894376212126, 8.886391960685234 ], [ 2.695560529039758, -5.549063920458466, 4.0032010293147655 ], [ 2.628967410814473, -5.3978194993206685, 8.95314799795676 ], [ 2.7463958691855264, -2.6689945454915907, 3.93644499204324 ], [ 3.9476927590667117, -6.870055664313201, 5.759702095711036 ], [ 4.003502541149617, -4.164400329323714, 7.2796298625213485 ], [ 5.434077509185526, -8.246305100679333, 10.38124148704324 ], [ 5.383242169039758, -5.366230223787876, 10.447997524314767 ], [ 5.260005377587083, -4.274701276584574, 4.813522900492797 ], [ 5.547529522412916, -6.6405982034154265, 8.050665444507205 ], [ 6.804032358850382, -6.750899150676286, 5.584558482478651 ], [ 6.859842140933288, -4.0452438156868, 7.104486249288963 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]
[ "Li", "Li", "Li", "Li", "P", "P", "P", "P", "W", "W", "W", "W", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2014-02-13 19:04:42
[ 0.125, 0.625, 0.125, 0.125 ]
[]
-227.155975
[ -0.002, -0.002, -0.002, -0.002, 0.011, 0.011, 0.011, 0.011, 1.908, 1.922, 1.908, 1.922, 0.017, 0.008, -0.005, 0.015, 0.013, -0.005, 0.017, 0.008, 0.013, 0.013, 0.015, 0.015, 0.017, 0.008, 0.015, 0.013, -0.005, -0.005, 0.008, 0.017 ]
[]
7.888
3.614259
pbe
true
398df7314999dfb33859ffe64fbbe4a6_15_Li4P4W4O20
[ "Li", "O", "P", "W" ]
38
A13B4CD
LiO13P4W
Li2 O26 P8 W2
4
[ 1, 1, 1 ]
3
[ [ 5.24258497, -0.00159206, -0.09365102 ], [ 1.39351367, 7.97078546, -0.00364173 ], [ 1.26247511, 2.5503664, 13.72988571 ] ]
mp-757168
[ [ 4.815594428539998, 6.217380650227352, 13.64312908799623 ], [ 1.5516328254307408, 6.168527112068731, 7.0545672143142415 ], [ 1.939665993597874, 6.681191789163238, 1.750998454613387 ], [ 7.281226208861945, 8.675416404574737, 8.898787344213495 ], [ 3.029645253680956, 5.429934162496683, 4.261730388971049 ], [ 3.5346314042970293, 7.259607617514462, 11.002329397861047 ], [ 4.266071820842188, 3.2417948873067406, 2.750181094387062 ], [ 4.7925423474867, 5.13853134211608, 9.263818289191555 ], [ 5.746902187980541, 1.70710141629282, 4.724378159378813 ], [ 5.910891924724228, 3.842643468026735, 11.71647416321958 ], [ 3.284833335774532, 2.312440088049349, 10.309040096153055 ], [ 4.538885290656774, 8.172526610519066, 3.2449817843334046 ], [ 1.7153597139073784, 1.8270038070772368, 9.138660467781676 ], [ 2.066912030860718, 5.646480717600676, 3.006564663998047 ], [ 1.860238501416705, 0.9784187348536972, 4.4964965309074705 ], [ 2.298095683243307, 5.477271443568168, 5.535243006485324 ], [ 1.9358293637998965, 5.983609776192059, 0.4590908871961818 ], [ 2.1396848279548903, 7.808210729540368, 7.80667994904719 ], [ 2.1437773221353646, 7.7878673245666405, 10.389611665860965 ], [ 2.077951620706182, 3.1808891910902393, 11.570911123525827 ], [ 3.0437823588451134, 7.759078104300877, 1.9677157502527278 ], [ 3.4096728129259697, 6.341463114868494, 12.149158858131573 ], [ 3.3427405329605824, 2.036882099284508, 2.4330738986362803 ], [ 3.5851101615666554, 3.947150159871184, 4.033313112445542 ], [ 3.6625135292842916, 4.082653238375477, 9.356596977018585 ], [ 4.247855434355091, 6.3750521308551455, 4.124901529121242 ], [ 4.177942740521669, 6.556792463114591, 9.693661970693666 ], [ 4.415710280206268, 8.512850376858646, 11.237290485047561 ], [ 4.456678879454242, 4.151402845744682, 1.5997424820890471 ], [ 4.86569500749804, 2.7176040258592264, 11.471878894361033 ], [ 5.825048659276382, 7.412499629136554, 2.0095885780095486 ], [ 5.61689827123948, 2.6692632497674365, 3.368735773443446 ], [ 5.708936002197925, 2.467753292432478, 5.975295357514932 ], [ 5.771068842751025, 4.574099134617047, 12.988155552072374 ], [ 5.462935119341317, 5.305675097751693, 7.966725493280809 ], [ 5.888854917568143, 9.36699557546289, 9.070373537266244 ], [ 5.846719317455957, 4.8361245600870895, 10.43316126021497 ], [ 6.039498978827572, 8.582606342452154, 4.519207905849378 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]
[ "Li", "Li", "P", "P", "P", "P", "P", "P", "P", "P", "W", "W", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2014-05-30 18:08:51
[ 0.05263157894736842, 0.6842105263157895, 0.21052631578947367, 0.05263157894736842 ]
[]
-270.608299
[ 0, 0, 0.004, 0.004, 0.004, 0.005, 0.005, 0.003, 0.005, 0.004, 0.986, 0.988, 0.013, 0.005, -0.015, -0.001, -0.002, -0.001, 0.006, -0.016, 0.013, -0.001, 0.01, 0, 0.013, 0.013, 0, 0.01, -0.001, 0.012, -0.016, 0.004, -0.002, -0.002, -0.001, -0.014, 0.006, 0.012 ]
[]
2.053
-0.202433
pbe
true
6b3161e9978e43854cff96641b3dcd4e_1_Li2P8W2O26
[ "Li", "O", "P", "W" ]
40
A6B2CD
Li2O6PW
Li8 O24 P4 W4
4
[ 1, 1, 1 ]
3
[ [ 6.76967642, 5.05638378, 0.08831386 ], [ -6.76967642, 5.05638378, -0.08831386 ], [ -2.04423943, 0, 6.88863099 ] ]
mp-757392
[ [ -3.6857359061572077, 8.057640115795511, 6.2676296288977715 ], [ -2.6636161911572085, 2.0551274442044893, 2.823314133897772 ], [ -1.5331795725000001, 0.1025468002716948, 5.1664732425 ], [ -1.5331795725000001, 5.99249830125938, 5.1664732425 ], [ -0.5110598575000004, 10.010220759728305, 1.7221577475 ], [ -0.5110598574999999, 4.1202692587406196, 1.7221577475 ], [ 0.6193767611572077, 8.057640115795511, 4.065316856102228 ], [ 1.6414964761572082, 2.0551274442044893, 0.6210013611022284 ], [ -3.520648860581376, 1.8991508478062904, 6.598757606653434 ], [ -2.498529145581376, 8.21361671219371, 3.1544421116534336 ], [ 0.45428971558137526, 1.8991508478062902, 3.734188878346566 ], [ 1.4764094305813755, 8.21361671219371, 0.2898733833465663 ], [ -4.7096130240584015, 5.093681992697818, 5.962708822921258 ], [ -3.6874933090584023, 5.019085567302182, 2.518393327921258 ], [ 1.6432538790584013, 5.093681992697818, 4.370237662078742 ], [ 2.6653735940584027, 5.019085567302182, 0.9259221670787422 ], [ -6.565469897246071, 3.89547598699035, 5.93021522240818 ], [ -5.7600284512460345, 6.604891300985116, 5.063765248116722 ], [ -5.543350182246071, 6.21729157300965, 2.4858997274081807 ], [ -4.737908736246035, 3.507876259014884, 1.6194497531167222 ], [ -4.588114516359339, 4.272850897941251, 4.170369184848453 ], [ -3.7558274861536485, 3.4239433726609905, 6.838064178086559 ], [ -3.5659948013593388, 5.83991666205875, 0.7260536898484532 ], [ -3.185416172282918, 6.0372644894172325, 6.155499217691545 ], [ -2.733707771153648, 6.68882418733901, 3.3937486830865584 ], [ -2.061031430618167, 1.4831302484440387, 6.665378803329142 ], [ -2.1632964572829185, 4.0755030705827675, 2.7111837226915445 ], [ -1.0389117156181678, 8.629637311555962, 3.2210633083291427 ], [ -1.005327714381833, 1.4831302484440387, 3.667567681670858 ], [ 0.11905702728291769, 6.0372644894172325, 4.177447267308455 ], [ 0.01679200061816761, 8.629637311555962, 0.2232521866708577 ], [ 0.689468341153648, 3.4239433726609905, 3.494882306913442 ], [ 1.141176742282918, 4.0755030705827675, 0.7331317723084556 ], [ 1.521755371359339, 4.272850897941251, 6.162577300151547 ], [ 1.711588056153648, 6.68882418733901, 0.0505668119134417 ], [ 2.5438750863593382, 5.83991666205875, 2.718261805151547 ], [ 2.693669306246035, 6.604891300985116, 5.269181236883278 ], [ 3.4991107522460703, 3.89547598699035, 4.40273126259182 ], [ 3.7157890212460347, 3.507876259014884, 1.8248657418832777 ], [ 4.52123046724607, 6.21729157300965, 0.9584157675918196 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]
[ "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "P", "P", "P", "P", "W", "W", "W", "W", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2014-02-13 18:18:50
[ 0.2, 0.6, 0.1, 0.1 ]
[]
-272.539105
[ 0.002, 0.002, 0, 0, 0, 0, 0.002, 0.002, 0.004, 0.004, 0.004, 0.004, 1.003, 1.003, 1.003, 1.003, 0.001, 0.003, 0.001, 0.003, 0.034, 0.008, 0.034, -0.037, 0.008, 0, -0.037, 0, 0, -0.037, 0, 0.008, -0.037, 0.034, 0.008, 0.034, 0.003, 0.001, 0.003, 0.001 ]
[]
4.072
2.008112
pbe
true
a52aa8324442cd5bd082765db31dbfc0_15_Li8P4W4O24
[ "Li", "O", "P", "W" ]
72
A12B3C2D
LiO12P3W2
Li4 O48 P12 W8
4
[ 1, 1, 1 ]
3
[ [ 8.67714993, 0, 0.04009657 ], [ 0, 8.99005464, 0 ], [ 0.14024798, 0, 12.31526133 ] ]
mp-757951
[ [ 1.7510249425925477, 6.4613370153908525, 10.153441296189815 ], [ 2.7979219924074528, 1.966309695390852, 8.339498983810186 ], [ 6.0194759175925485, 7.023744944609148, 4.015858916189814 ], [ 7.066372967407453, 2.528717624609148, 2.2019166038101856 ], [ 0.3686344298686942, 2.237897448054324, 6.2559240991330665 ], [ 0.9251497845214077, 1.0602648388066391, 1.8276106861420278 ], [ 1.075741970174931, 3.5025984667887697, 10.551372343143104 ], [ 3.473204964825069, 7.9976257867887695, 7.941567936856897 ], [ 3.4835491704785926, 5.555292158806639, 4.350068263857972 ], [ 4.1803125051313055, 6.732924768054324, 12.237016180866934 ], [ 4.637085404868695, 2.257129871945676, 0.1183417191330662 ], [ 5.333848739521407, 3.434762481193361, 8.005289636142027 ], [ 5.344192945174932, 0.9924288532112304, 4.4137899631431035 ], [ 7.74165593982507, 5.487456173211231, 1.8039855568568965 ], [ 7.892248125478593, 7.929789801193362, 10.527747213857973 ], [ 8.448763480131307, 6.752157191945677, 6.099433800866934 ], [ 2.204036689087259, 8.702684486813823, 4.712141235795757 ], [ 2.204780067963292, 4.832834826235702, 7.567539587408219 ], [ 2.204662265912741, 4.2076571668138225, 1.4655377142042434 ], [ 2.3441668670367077, 0.3378075062357016, 10.925400692591781 ], [ 6.473231042963292, 8.652247133764298, 1.429957207408218 ], [ 6.61273564408726, 4.782397473186177, 10.889820185795756 ], [ 6.612617842036709, 4.157219813764298, 4.787818312591782 ], [ 6.613361220912741, 0.28737015318617765, 7.643216664204243 ], [ 0.5181388197058044, 5.6780986426032465, 6.88974751539163 ], [ 0.5865123704163934, 5.528176086299832, 1.5438121684230615 ], [ 0.7333850559372543, 8.234269826370387, 10.257328366369904 ], [ 0.7175129400574006, 7.328161949503148, 4.974432480752262 ], [ 0.8734170640060439, 1.185987966030101, 5.289099314500465 ], [ 1.0166921081712923, 2.571957270212249, 2.064494714236488 ], [ 1.2959314770554242, 0.6721148245978656, 0.3907282158678683 ], [ 1.42849368446078, 4.597084218284208, 9.47927660296704 ], [ 1.5623420063202642, 2.8940999658399362, 7.003083051177828 ], [ 1.6201715463810946, 2.1416997279811896, 10.05173353283493 ], [ 1.8140312112888548, 3.922306359700882, 11.825544882350178 ], [ 1.7787248290116873, 0.20978589174243123, 2.787395211183123 ], [ 2.629974125988313, 4.704813211742431, 3.3902837388168767 ], [ 2.7349157237111457, 8.417333679700882, 6.667395397649823 ], [ 2.9287753886189054, 6.63672704798119, 8.44120674716507 ], [ 2.986604928679736, 7.389127285839937, 11.489857228822173 ], [ 3.112767477944576, 5.167142144597865, 5.786950734132132 ], [ 3.1204532505392204, 0.102056898284208, 9.013663677032959 ], [ 3.3920068468287083, 7.0669845902122495, 4.113184235763511 ], [ 3.5352818909939567, 5.6810152860301, 0.8885796354995351 ], [ 3.6911860149425997, 2.8331346295031477, 1.203246469247738 ], [ 3.822186584583607, 1.033148766299832, 4.6338667815769385 ], [ 3.815561879062746, 3.7392425063703865, 8.235611913630095 ], [ 4.030808115294196, 1.1830713226032457, 11.603192764608371 ], [ 4.7865897947058045, 7.806983317396754, 0.7521651353916301 ], [ 5.0018360309372545, 5.250812133629614, 4.119745986369904 ], [ 4.995211325416394, 7.956905873700168, 7.721491118423061 ], [ 5.126211895057401, 6.156920010496853, 11.152111430752262 ], [ 5.282116019006044, 3.3090393539698995, 11.466778264500466 ], [ 5.4253910631712925, 1.9230700497877513, 8.242173664236487 ], [ 5.69694465946078, 8.887997741715791, 3.3416942229670408 ], [ 5.704630432055425, 3.822912495402135, 6.568407165867869 ], [ 5.830792981320264, 1.6009273541600642, 0.8655006711778284 ], [ 5.8886225213810945, 2.3533275920188106, 3.914151152834929 ], [ 6.082482186288855, 0.5727209602991183, 5.687962502350178 ], [ 6.1874237840116875, 4.285241428257569, 8.965074161183123 ], [ 7.038673080988313, 8.78026874825757, 9.567962688816877 ], [ 7.003366698711146, 5.067748280299119, 0.5298130176498225 ], [ 7.197226363618906, 6.84835491201881, 2.303624367165071 ], [ 7.255055903679737, 6.095954674160064, 5.352274848822171 ], [ 7.38890422553922, 4.392970421715792, 2.8760812970329597 ], [ 7.521466432944576, 8.317939815402134, 11.964629684132131 ], [ 7.800705801828708, 6.418097369787751, 10.290863185763513 ], [ 7.9439808459939565, 7.8040666739699, 7.0662585854995354 ], [ 8.0998849699426, 1.661892690496853, 7.380925419247738 ], [ 8.084012854062745, 0.7557848136296136, 2.0980295336300956 ], [ 8.230885539583607, 3.461878553700168, 10.81154573157694 ], [ 8.299259090294196, 3.3119559973967547, 5.46561038460837 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]
[ "Li", "Li", "Li", "Li", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "W", "W", "W", "W", "W", "W", "W", "W", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2014-02-13 18:37:01
[ 0.05555555555555555, 0.6666666666666666, 0.16666666666666666, 0.1111111111111111 ]
[]
-527.328188
[ 0.001, 0.001, 0.001, 0.001, 0.012, 0.009, 0.014, 0.014, 0.009, 0.012, 0.012, 0.009, 0.014, 0.014, 0.009, 0.012, 1.906, 1.906, 1.906, 1.906, 1.906, 1.906, 1.906, 1.906, 0.007, 0.005, 0.006, 0.002, 0.024, 0.019, 0.017, 0.001, 0.017, 0.01, 0.005, 0.007, 0.007, 0.005, 0.01, 0.017, 0.017, 0.001, 0.019, 0.024, 0.002, 0.005, 0.006, 0.007, 0.007, 0.006, 0.005, 0.002, 0.024, 0.019, 0.001, 0.017, 0.017, 0.01, 0.005, 0.007, 0.007, 0.005, 0.01, 0.017, 0.001, 0.017, 0.019, 0.024, 0.002, 0.006, 0.005, 0.007 ]
[]
15.872
1.82311
pbe
true
a3786b3815aaf128617c794aae83c5fc_14_Li4P12W8O48
[ "Ta", "Te", "Zn" ]
3
ABC
TaTeZn
Ta1 Te1 Zn1
3
[ 1, 1, 1 ]
3
[ [ 2.293372, 1.324079, 3.745061 ], [ -2.293372, 1.324079, 3.745061 ], [ 0, -2.648158, 3.745061 ] ]
oqmd-4821326
[ [ -1.953882972487736e-17, -4.597593983732379e-18, 2.8087900000000032 ], [ 0, 0, 0 ], [ -2.839066924596832e-17, -3.492539882351188e-17, 8.426390000000005 ] ]
[{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Ta", "Te", "Zn" ]
2024-11-01 00:00:00
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 5.6138, 0, 0 ], [ 0, 5.6138, 0 ], [ 0, 0, 5.6138 ] ]
-13.9411
[ 0.314, -0.005, 0.005 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.479988
null
pbe
true
743c75d682a8992faf2bc94f3c438dc4_216_Ta1Zn1Te1