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
[ "Eu", "Pa", "Re" ]
6
A4BC
EuPaRe4
Eu1 Pa1 Re4
3
[ 1, 1, 1 ]
3
[ [ 5.44913182, 0, 0 ], [ 2.72456591, 4.71908658, 0 ], [ 2.72456591, 1.57302886, 4.4491975 ] ]
agm001174658
[ [ 0, 0, 0 ], [ 5.44913454456591, 3.14605614697114, 0.554897371879675 ], [ 5.44913454456591, 1.5718476411684488, 2.7811643929742753 ], [ 6.812439102799523, 3.933160399872486, 2.7811643929742753 ], [ 4.085829986332296, 3.933160399872486, 2.7811643929742753 ], [ 2.72456591, 1.57302886, 1.112299375 ] ]
[{"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Eu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Eu"]}]
[ "Eu", "Re", "Re", "Re", "Re", "Pa" ]
2023-11-16 06:57:59
[ 0.16666666666666666, 0.16666666666666666, 0.6666666666666666 ]
[ [ 9.887485, 0, 0 ], [ 0, 9.887485, 0 ], [ 0, 0, 9.887485 ] ]
-69.029694
[ 6.56, -0.197, -0.197, -0.197, -0.197, -0.373 ]
[ [ 0, 0, 0 ], [ 0, 0, -0.00201366 ], [ 0, -0.0018985, 0.00067122 ], [ 0.00164415, 0.00094925, 0.00067122 ], [ -0.00164415, 0.00094925, 0.00067122 ], [ 0, 0, 0 ] ]
5.3702
10.352002
pbe
true
1178272d720e0a99d36e1e7c42795383_216_Eu1Pa1Re4
[ "Eu", "Pd", "Sm" ]
4
A2BC
Eu2PdSm
Sm1 Eu2 Pd1
3
[ 1, 1, 1 ]
3
[ [ 3.65312171, 0, 0 ], [ 0, 3.65312171, 0 ], [ 0, 0, 9.17683975 ] ]
agm001149078
[ [ 0, 0, 7.425484116080095 ], [ 0, 0, 1.7513556339199048 ], [ 1.826560855, 1.826560855, 0 ], [ 1.826560855, 1.826560855, 4.588419875 ] ]
[{"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Eu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Eu"]}]
[ "Eu", "Eu", "Pd", "Sm" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 3.9087067, 0, 0 ], [ 0, 3.9087067, 0 ], [ 0, 0, 2.341385 ] ]
-31.557152
[ 6.847, 6.847, -0.05, 0.04 ]
[ [ 0, 0, 0.01169678 ], [ 0, 0, -0.01169678 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
14.311299
16.778505
pbe
true
198d631864a69427b56e04ce3c26933b_123_Sm1Eu2Pd1
[ "Eu", "Pm", "Pr" ]
4
A2BC
Eu2PmPr
Pr1 Pm1 Eu2
3
[ 1, 1, 1 ]
3
[ [ 5.4022906, 0, 0 ], [ 0, 5.2689371, 0 ], [ 0, 0, 5.2689371 ] ]
agm001246158
[ [ 0, 0, 2.63446855 ], [ 0, 2.63446855, 0 ], [ 2.7011453, 2.63446855, 2.63446855 ], [ 2.7011453, 0, 0 ] ]
[{"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Eu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Eu"]}]
[ "Eu", "Eu", "Pr", "Pm" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 1.3301581, 0, 0 ], [ 0, 1.814564, 0 ], [ 0, 0, 1.814564 ] ]
-29.715942
[ -6.894, -6.894, -0.099, -0.098 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-14.908725
5.221757
pbe
true
af7b43fa4689291f1cdf502e172fe4e3_123_Pr1Pm1Eu2
[ "Eu", "Rh", "Ti" ]
4
A2BC
EuRh2Ti
Eu1 Ti1 Rh2
3
[ 1, 1, 1 ]
3
[ [ 4.19439369, 0, 0 ], [ 2.09719685, 3.63245149, 0 ], [ 2.09719685, 1.21081716, 5.35083609 ] ]
agm001928119
[ [ 4.194393695, 2.421634325, 2.675418045 ], [ 2.0971989233712542, 1.2108183615626156, 0.770053804052952 ], [ 6.291588466628745, 3.632450288437384, 4.5807822859470475 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}, {"mass": null, "name": "Eu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Eu"]}]
[ "Eu", "Rh", "Rh", "Ti" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ 7.340655, 0, 0 ], [ 0, 7.340655, 0 ], [ 0, 0, 6.9810967 ] ]
-34.685094
[ 6.717, -0.055, -0.055, 0.056 ]
[ [ 0, 0, 0 ], [ 0, 0, 0.00558654 ], [ 0, 0, -0.00558654 ], [ 0, 0, 0 ] ]
6.922487
10.95036
pbe
true
abfe59a81bcd0efd05e82f060cfa82a0_166_Eu1Ti1Rh2
[ "Eu", "Sb", "Tm" ]
6
ABC
EuSbTm
Eu2 Tm2 Sb2
3
[ 1, 1, 1 ]
3
[ [ 4.68323662, -0.0002441, 0.00019972 ], [ -0.00024435, 4.68333505, 0.00063146 ], [ -2.34242706, -2.34241577, 8.4599307 ] ]
agm002313475
[ [ -0.0007147486021432406, -0.0003189347552188526, 5.497309102434483 ], [ 2.341279958602143, 2.3409941147552185, 2.963452777565517 ], [ -0.000016946585157919264, -0.00029988769794347757, 2.1682839600122237 ], [ 2.340582156585158, 2.340975067697943, 6.292477919987776 ], [ 2.34161831, -0.00012205, 0.00009986 ], [ -0.000122175, 2.341667525, 0.00031573 ] ]
[{"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Eu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Eu"]}]
[ "Eu", "Eu", "Sb", "Sb", "Tm", "Tm" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 1.8465333, 0.19620895, 0.01736783 ], [ 0.19620898, 1.8408571, 0.00811603 ], [ 0.01736776, 0.00811584, 1.8413006 ] ]
-42.72673
[ 6.937, 6.937, -0.05, -0.05, 0.391, 0.391 ]
[ [ 0.00067209, 0.00028421, -0.02042924 ], [ -0.00067209, -0.00028421, 0.02042924 ], [ 0.00075348, 0.00108522, -0.01073283 ], [ -0.00075348, -0.00108522, 0.01073283 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
15.676143
4.909794
pbe
true
f6c5f33a2af0839d90d85b933062c907_139_Eu2Tm2Sb2
[ "Eu", "Tm", "Zn" ]
4
A2BC
EuTmZn2
Eu1 Tm1 Zn2
3
[ 1, 1, 1 ]
3
[ [ 3.5970402, 0, 0 ], [ 0, 5.1397325, 0 ], [ 0, 0, 5.1397325 ] ]
agm001231793
[ [ 1.7985201, 2.56986625, 2.56986625 ], [ 0, 0, 2.56986625 ], [ 0, 2.56986625, 0 ], [ 1.7985201, 0, 0 ] ]
[{"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}, {"mass": null, "name": "Eu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Eu"]}]
[ "Eu", "Zn", "Zn", "Tm" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
[ [ 1.6559272, 0, 0 ], [ 0, 2.1442585, 0 ], [ 0, 0, 2.1442585 ] ]
-18.404226
[ 6.857, 0.011, 0.011, -0.06 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
7.112465
2.317186
pbe
true
290c38119e843a4d1370251d74bf9ab3_123_Eu1Tm1Zn2
[ "F", "Fe", "O" ]
24
A7B4C
F7Fe4O
F14 Fe8 O2
3
[ 1, 1, 1 ]
3
[ [ -4.92224747, -0.08875825, -0.00459889 ], [ 0.17469297, 9.8532458, -3.10322319 ], [ -0.00576305, 0.00825669, -6.18647317 ] ]
mp-756404
[ [ -2.4722644155198705, 2.5216559153135285, -4.6606774584133595 ], [ -2.2873597632878524, 7.324581422961926, -7.729779050330425 ], [ -2.4522731355256, 7.471546384223485, -4.655504112467913 ], [ -2.4555821743515995, 2.4474684673666256, -1.57438654748479 ], [ -4.703038678963925, 9.733073889568919, -6.11510224042121 ], [ -4.783215237173628, 4.804174336965387, -6.036180628289232 ], [ -4.686175521868144, 9.711824077787188, -3.2229339154900174 ], [ -4.788566518509567, 4.8168229184949825, -3.256068824577103 ], [ -3.811101673537238, 3.8719834772167983, -4.639844647045329 ], [ -3.7564988812168916, 8.819563792114442, -4.682216954016462 ], [ -3.8741046942513107, 3.856406082426294, -1.555549845817178 ], [ -3.75021958618118, 8.783498810203676, -7.755215401863209 ], [ -3.4141322946278323, 1.4069617466376758, -3.132307476928011 ], [ -3.3333068097712646, 6.337355110003518, -3.0657409474553194 ], [ -3.3970700327318677, 1.400105668275817, -6.197041449739962 ], [ -3.3442201362390507, 6.3250137334602865, -6.233885481487704 ], [ -1.275431257388676, 8.336149535291215, -3.071155820093596 ], [ -1.2919811106523482, 8.362008025822657, -6.2333770064856395 ], [ -1.3772408993251775, 3.4174127923844995, -6.228598727014088 ], [ -1.3675441497363579, 3.4153098560275508, -3.0877029773330387 ], [ -0.8221191561191675, 5.848406424629859, -7.738573316726004 ], [ -1.0322829856694238, 1.027499495335952, -1.5506786018622911 ], [ -1.0068309131559483, 5.996874138979654, -4.654529372253176 ], [ -0.9232754559436283, 0.9337588210358589, -4.657335894785559 ] ]
[{"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Fe", "Fe", "Fe", "Fe", "Fe", "Fe", "Fe", "Fe", "O", "O", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F" ]
2019-10-23 23:49:15
[ 0.5833333333333334, 0.3333333333333333, 0.08333333333333333 ]
[ [ -7.95793393, 0.31147492, -1.67941056 ], [ 0.31160325, -6.95174149, 0.93833492 ], [ -1.67942671, 0.93831528, -12.48721868 ] ]
-148.464394
[ 3.817, 3.608, 3.833, 3.846, 3.864, 3.795, 3.848, 3.778, 0.382, 0.367, 0.131, 0.129, 0.131, 0.127, 0.13, 0.129, 0.129, 0.131, 0.129, 0.129, 0.1, 0.136, 0.122, 0.092 ]
[ [ -0.04463783, -0.03802059, 0.01409342 ], [ 0.00583852, -0.00829114, -0.00912632 ], [ 0.02956136, 0.01928996, -0.02254678 ], [ 0.03493632, 0.05033393, -0.00055185 ], [ 0.03788208, -0.07198782, 0.04987306 ], [ 0.00507112, -0.02815894, 0.0641745 ], [ -0.01182488, -0.0279815, -0.00891642 ], [ 0.03189397, -0.01609679, -0.07793653 ], [ 0.00147644, -0.01326676, -0.02751905 ], [ -0.0515031, 0.01854121, 0.00415879 ], [ 0.00827644, 0.05163535, -0.01010164 ], [ -0.00573843, 0.02084075, -0.01182412 ], [ 0.00700629, -0.00518992, 0.07001709 ], [ 0.00072299, -0.01417515, -0.00257458 ], [ -0.033117, 0.01463036, -0.037976 ], [ 0.0027577, -0.00807291, 0.00144883 ], [ -0.03532417, -0.02062758, 0.03408591 ], [ 0.02968646, -0.00870575, -0.03808416 ], [ -0.01381342, 0.02169613, 0.04479261 ], [ -0.02383878, 0.01634589, -0.03546269 ], [ -0.02881449, -0.01244642, 0.00664496 ], [ -0.0152773, 0.03703748, -0.0142283 ], [ 0.04948299, -0.00460505, -0.00268723 ], [ 0.01929672, 0.02727524, 0.01024653 ] ]
32.883
1.666535
pbe
true
e0dcb35e4301696cde720dc69466e997_1_Fe8O2F14
[ "F", "Fe", "Li" ]
12
A4BC
F4FeLi
Li2 Fe2 F8
3
[ 1, 1, 1 ]
3
[ [ 5.28238972, -0.0941946, 0 ], [ -2.07863473, 4.8571382, 0 ], [ 0, 0, 6.26662712 ] ]
agm005255685
[ [ 0, 0, 0 ], [ 0, 0, 3.13331356 ], [ 0.4832898154867284, 3.133880639947536, 4.69997034 ], [ 2.7204651745132717, 1.6290629600524638, 1.56665678 ], [ 0.6458092767273275, 1.276084536426204, 4.69997034 ], [ 0.9384719784406964, 1.079227367404028, 1.56665678 ], [ -0.42847648503929403, 3.747172773453376, 3.2368548465842677 ], [ 3.6322314750392946, 1.0157708265466239, 0.10354128658426799 ], [ 3.6322314750392946, 1.0157708265466239, 3.0297722734157317 ], [ -0.42847648503929403, 3.747172773453376, 6.163085833415732 ], [ 2.5579457132726726, 3.4868590635737955, 1.56665678 ], [ 2.2652830115593034, 3.683716232595972, 4.69997034 ] ]
[{"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}]
[ "Li", "Li", "Fe", "Fe", "F", "F", "F", "F", "F", "F", "F", "F" ]
2023-11-16 06:57:59
[ 0.6666666666666666, 0.16666666666666666, 0.16666666666666666 ]
[ [ 2.608722, -0.24594021, 0 ], [ -0.24594021, 2.4085183, 0 ], [ 0, 0, 2.1390207 ] ]
-60.521846
[ 0.005, 0.005, 4.387, 4.387, 0.115, 0.115, 0.14, 0.14, 0.14, 0.14, 0.115, 0.115 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00847791, 0.00570259, 0 ], [ 0.00847791, -0.00570259, 0 ], [ -0.0048046, 0.00227997, 0 ], [ 0.00392302, -0.00359059, 0 ], [ -0.00048181, 0.00032408, 0.00361987 ], [ 0.00048181, -0.00032408, 0.00361987 ], [ 0.00048181, -0.00032408, -0.00361987 ], [ -0.00048181, 0.00032408, -0.00361987 ], [ 0.0048046, -0.00227997, 0 ], [ -0.00392302, 0.00359059, 0 ] ]
9.987382
0
pbe
true
b3892b718be81c14ccb6724e05346d26_63_Li2Fe2F8
[ "F", "Ga", "Hg" ]
11
A8B2C
F8GaHg2
Ga1 Hg2 F8
3
[ 1, 1, 1 ]
3
[ [ 4.95583011, -0.14832667, 0.00494658 ], [ -0.02927138, 5.69683383, 1.46388259 ], [ -0.19862429, 0.18561371, 5.87569786 ] ]
agm005880555
[ [ 1.0909517274848115, 3.741589575171543, 4.7158553423913245 ], [ 3.6369827125151883, 1.9925312948284577, 2.6286716876086755 ], [ 0, 0, 0 ], [ 0.8150368428275351, 5.371432557566498, 3.1545906632448744 ], [ 0.7075578957441088, 1.87376525652872, 5.954526371147275 ], [ 3.912897597172465, 0.3626883124335016, 4.189936366755125 ], [ 1.1864280638679563, 2.4017257975819795, 3.0457681734958717 ], [ 4.020376544255891, 3.86035561347128, 1.3900006588527245 ], [ 1.2522450561582328, 5.06891862183802, 6.3801405976291665 ], [ 3.4756893838417673, 0.6652022481619807, 0.9643864323708334 ], [ 3.5415063761320438, 3.332395072418021, 4.298758856504128 ] ]
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Hg", "Hg", "Ga", "F", "F", "F", "F", "F", "F", "F", "F" ]
2023-11-16 06:57:59
[ 0.7272727272727273, 0.09090909090909091, 0.18181818181818182 ]
[ [ 2.356576, -0.39250964, -0.49135548 ], [ -0.3925097, 2.3328917, -0.07830564 ], [ -0.49135554, -0.07830563, 2.2668352 ] ]
-37.224151
[ 0.124, 0.124, 0.003, 0.069, 0.069, 0.069, 0.112, 0.069, 0.054, 0.054, 0.112 ]
[ [ 0.00070897, -0.0000544, -0.00004074 ], [ -0.00070897, 0.0000544, 0.00004074 ], [ 0, 0, 0 ], [ 0.0034601, -0.00206261, 0.0051583 ], [ 0.0036879, 0.00535084, -0.00077628 ], [ -0.0034601, 0.00206261, -0.0051583 ], [ 0.00169591, -0.00080279, -0.00093774 ], [ -0.0036879, -0.00535084, 0.00077628 ], [ 0.00235165, -0.00067149, -0.00074856 ], [ -0.00235165, 0.00067149, 0.00074856 ], [ -0.00169591, 0.00080279, 0.00093774 ] ]
0.897597
6.083055
pbe
true
a40620548d171583b4a62717829ae977_12_Ga1Hg2F8
[ "F", "Ge", "Tb" ]
8
A6BC
F6GeTb
Tb1 Ge1 F6
3
[ 1, 1, 1 ]
3
[ [ 4.63242722, 0.09491469, 0.11324548 ], [ -0.59509471, 4.59502283, 0.11323849 ], [ -0.5950882, -0.69128696, 4.54413993 ] ]
agm002269800
[ [ 0, 0, 0 ], [ 1.7211221550000002, 1.9993252799999999, 2.38531195 ], [ 0.696033790423542, 0.8085372736606293, 4.313485586443516 ], [ 0.696029753374834, 4.105893543443874, 1.5497021368617094 ], [ 2.746214556625166, -0.10724298344387495, 3.2209217631382905 ], [ 2.746210519576458, 3.1901132863393697, 0.4571383135564847 ], [ -0.5144642469340078, 2.6997181988880747, 3.2209189178012196 ], [ 3.956708556934009, 1.2989323611119246, 1.5497049821987805 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}]
[ "Ge", "Tb", "F", "F", "F", "F", "F", "F" ]
2023-11-16 06:57:59
[ 0.75, 0.125, 0.125 ]
[ [ 2.9935892, -0.09808431, -0.1165788 ], [ -0.0980847, 2.963894, -0.13590378 ], [ -0.11657887, -0.13590331, 2.9159985 ] ]
-43.261358
[ 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00068222, 0.00079023, -0.00114688 ], [ 0.000672, -0.00124864, 0.00057126 ], [ -0.000672, 0.00124864, -0.00057126 ], [ -0.00068222, -0.00079023, 0.00114688 ], [ 0.00135467, -0.00048389, -0.00057961 ], [ -0.00135467, 0.00048389, 0.00057961 ] ]
-0.000178
3.53074
pbe
true
c77deda9f17e0b991f56ca475f3a1094_166_Tb1Ge1F6
[ "F", "H", "O" ]
8
A2BC
F2HO
H2 O2 F4
3
[ 1, 1, 1 ]
3
[ [ 3.98547503, -0.05470668, 0.12916801 ], [ -1.1164001, 5.02661901, 0.14629737 ], [ -1.21010752, -0.88148565, 5.10806706 ] ]
agm002082344
[ [ 2.3656885446258156, -0.051078527415869344, 3.5804365494835837 ], [ 0.6450240082923162, 2.9519614733346327, 4.501887646277416 ], [ 3.1650195811237443, 1.517268047335333, 1.4360217204736991 ], [ -0.11345463865553508, 2.4099049698728954, 1.7684516624432765 ], [ 1.9812969006244883, 0.9789589048714957, 2.6171277970567 ], [ 2.560135052452132, -0.7228951462597779, 4.277795314120375 ], [ 0.17743436728806447, 2.105579743391089, 4.546546858956221 ], [ -0.7695572123335992, 3.868404916467502, 1.660882407979661 ] ]
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}]
[ "H", "H", "O", "O", "F", "F", "F", "F" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 4.160468, -0.59672695, 0.8456955 ], [ -0.59672695, 3.1873372, 0.7990051 ], [ 0.84569556, 0.79900515, 3.9291935 ] ]
-30.885497
[ 0, -0.001, -0.002, 0, 0.01, 0.003, 0.073, 0.003 ]
[ [ 0.00168715, -0.00219407, -0.0007753 ], [ -0.000931, -0.00410802, -0.00159452 ], [ 0.01024844, 0.00806022, 0.01171861 ], [ -0.01122598, -0.01020875, -0.00955529 ], [ 0.00190137, 0.00497402, 0.00011115 ], [ -0.00071079, 0.00013914, -0.00090591 ], [ -0.00106848, 0.00379262, 0.00194367 ], [ 0.00009928, -0.00045514, -0.00094241 ] ]
0.099305
0
pbe
true
980ed76cbccaf50c12aaab592409278f_1_H2O2F4
[ "F", "H", "Sr" ]
8
A6BC
F6HSr
Sr1 H1 F6
3
[ 1, 1, 1 ]
3
[ [ 4.15781469, 0.39934834, 1.7522993 ], [ 3.07826803, 8.41399222, 0.06757566 ], [ 0.88780779, -1.67101743, 4.0864218 ] ]
agm005814725
[ [ 4.061945255, 3.571161565, 2.95314838 ], [ 0, 0, 0 ], [ 3.535157354935089, 5.937824006002772, 3.465269250326982 ], [ 3.5574000676587403, 1.0087559443808343, 4.680924421580094 ], [ 5.87858456554226, 2.6824603547282653, 4.687558514237613 ], [ 4.56649044234126, 6.1335671856191665, 1.2253723384199067 ], [ 4.58873315506491, 1.2044991239972285, 2.441027509673018 ], [ 2.2453059444577406, 4.459862775271736, 1.2187382457623874 ] ]
[{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}]
[ "Sr", "H", "F", "F", "F", "F", "F", "F" ]
2023-11-16 06:57:59
[ 0.75, 0.125, 0.125 ]
[ [ 2.631942, 1.7323099, 0.68282914 ], [ 1.7323102, 5.4047465, -1.3072319 ], [ 0.68282926, -1.3072317, 2.476552 ] ]
-30.032774
[ -0.01, -0.003, 0.199, 0.685, 0.495, 0.685, 0.199, 0.495 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00051285, 0.00199219, 0.00633796 ], [ 0.00039344, -0.00149967, 0.00171096 ], [ 0.00205691, -0.00081803, 0.00106488 ], [ -0.00039344, 0.00149967, -0.00171096 ], [ 0.00051285, -0.00199219, -0.00633796 ], [ -0.00205691, 0.00081803, -0.00106488 ] ]
3.000089
2.7108
pbe
true
48cebd6d7f1a1aaa16acba6d0ef1947a_2_Sr1H1F6
[ "F", "Hf", "Ho" ]
28
A11B2C
F11Hf2Ho
Ho2 Hf4 F22
3
[ 1, 1, 1 ]
3
[ [ 6.85826696, 0, 3.57476548 ], [ 3.14778256, 7.24242005, 2.32716159 ], [ 0.06997372, -0.07792826, 8.23200427 ] ]
agm005740702
[ [ 7.557017429999999, 5.3733688425, 10.600448505 ], [ 2.51900581, 1.7911229475, 3.5334828349999996 ], [ 6.541981794408549, 4.9139236904534265, 6.48487184233864 ], [ 3.5340414455914506, 2.250568099546572, 7.649059497661359 ], [ 6.544066864264518, 1.2537495354534274, 10.240510097852225 ], [ 3.5319563757354824, 5.910742254546573, 3.893421242147775 ], [ 6.636340648198571, 5.089802388853933, 8.51318517752508 ], [ 3.439682591801428, 2.074689401146067, 5.6207461624749175 ], [ 2.4709565479008937, 3.9811469106408306, 7.479285268309668 ], [ 8.943823620793816, 6.765590774359169, 11.793432502046645 ], [ 7.605066692099106, 3.18334487935917, 6.65464607169033 ], [ 1.1321996192061852, 0.39890101564083025, 2.3404988379533544 ], [ 5.31868194310672, 5.6569352961460675, 11.041125592118602 ], [ 4.757341296893281, 1.507556493853933, 3.092805747881396 ], [ 5.03801162, 3.582245895, 7.066965669999999 ], [ 0, 0, 0 ], [ 8.456944106032006, 5.65248497326443, 6.7254193924541825 ], [ 1.6190791339679935, 1.512006816735569, 7.408511947545816 ], [ 5.250151415304722, 1.992303575844381, 8.80847910550407 ], [ 4.825878682962238, 5.172188214155619, 5.325455809261408 ], [ 6.205291705319561, 6.920093235897553, 6.509209518160696 ], [ 3.8707315346804396, 0.24439855410244696, 7.624721821839303 ], [ 2.8579469143911225, 2.2375358108083607, 9.567754650080877 ], [ 0.8714546862631279, 1.2667818241916389, 5.012649857653927 ], [ 7.218076325608878, 4.926955979191638, 4.566176689919122 ], [ 9.204575412003832, 5.897709965808361, 9.121285057111551 ], [ 3.3590862140261892, 3.904572709102447, 3.6034831741044986 ], [ 6.7169370959475305, 3.259919002969293, 10.530456397899771 ] ]
[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}]
[ "Ho", "Ho", "Hf", "Hf", "Hf", "Hf", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F" ]
2023-11-16 06:57:59
[ 0.7857142857142857, 0.14285714285714285, 0.07142857142857142 ]
[ [ 2.3688338, 0.15516733, -0.06410439 ], [ 0.15516733, 2.5555053, -0.29769158 ], [ -0.06410439, -0.29769158, 2.4584055 ] ]
-200.136741
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00407834, -0.00002984, -0.00209516 ], [ 0.00407834, 0.00002984, 0.00209516 ], [ 0.00405324, -0.00002984, 0.0021433 ], [ -0.00405324, 0.00002984, -0.0021433 ], [ -0.00383165, 0.00354226, 0.00036269 ], [ 0.00383165, -0.00354226, -0.00036269 ], [ 0.00114309, 0.00174881, 0.00479539 ], [ 0.0045857, -0.00174881, -0.00180934 ], [ -0.00114309, -0.00174881, -0.00479539 ], [ -0.0045857, 0.00174881, 0.00180934 ], [ -0.00189713, -0.00354226, -0.00334873 ], [ 0.00189713, 0.00354226, 0.00334873 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00073682, 0.00004303, -0.00042819 ], [ 0.00073682, -0.00004303, 0.00042819 ], [ 0.000773, 0.00004303, 0.00035878 ], [ -0.000773, -0.00004303, -0.00035878 ], [ -0.00040543, 0.0032083, 0.00122454 ], [ 0.00040543, -0.0032083, -0.00122454 ], [ -0.00171496, 0.00096463, 0.00284349 ], [ 0.00134877, -0.00096463, -0.00303436 ], [ 0.00171496, -0.00096463, -0.00284349 ], [ -0.00134877, 0.00096463, 0.00303436 ], [ 0.00077162, -0.0032083, -0.00103367 ], [ -0.00077162, 0.0032083, 0.00103367 ] ]
0
0
pbe
true
ad66731012a0a2e2db88b49055a7981c_72_Ho2Hf4F22
[ "F", "Ir", "Sn" ]
5
A3BC
FIrSn3
Sn3 Ir1 F1
3
[ 1, 1, 1 ]
3
[ [ 5.16260024, 0, 0 ], [ 0, 5.16260024, 0 ], [ 0, 0, 5.16260024 ] ]
agm002473210
[ [ 0, 0, 0 ], [ 0, 2.58130012, 0 ], [ 0, 0, 2.58130012 ], [ 2.58130012, 0, 0 ], [ 2.58130012, 2.58130012, 2.58130012 ] ]
[{"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}]
[ "Ir", "Sn", "Sn", "Sn", "F" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.6 ]
[ [ 1.9305794, 0, 0 ], [ 0, 1.9305794, 0 ], [ 0, 0, 1.9305794 ] ]
-23.870385
[ 0, 0.001, -0.001, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
4.603707
pbe
true
2fb6b2bfd960678d733a9ebb71538f7a_221_Sn3Ir1F1
[ "F", "K", "Te" ]
11
A8B2C
F8KTe2
K1 Te2 F8
3
[ 1, 1, 1 ]
3
[ [ 7.03697016, 0.81251586, 0.18861642 ], [ 4.18258125, 5.75824329, 0.17559018 ], [ 0.18389157, 0.07783514, 5.73667327 ] ]
agm006031795
[ [ 7.036844150103792, 0.8127056981876624, 0.1886284542324682 ], [ 7.936132465576641, 4.638091012350758, 2.783098263557991 ], [ 3.467185226890557, 2.01068327838483, 3.3177878668986636 ], [ 2.5081326542969533, 1.4539420681106476, 4.9729026633382265 ], [ 3.801778159523803, 3.6971282873510107, 4.209932158838063 ], [ 5.095588361864597, 1.4634925071515592, 4.21478470312009 ], [ 6.771985615704008, 3.971469885736681, 4.225390303316506 ], [ 4.631650201629226, 2.6770775315660282, 1.8753411132865299 ], [ 8.895265597685931, 5.194536127133983, 1.128146547463929 ], [ 7.601632471805064, 2.951337930947718, 1.8908067134448336 ], [ 6.307956029887037, 5.185055970014254, 1.8861965122000135 ] ]
[{"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}]
[ "K", "Te", "Te", "F", "F", "F", "F", "F", "F", "F", "F" ]
2023-11-16 06:57:59
[ 0.7272727272727273, 0.09090909090909091, 0.18181818181818182 ]
[ [ 2.526124, 0.635527, 0.40110925 ], [ 0.6355271, 1.8403214, 0.25070354 ], [ 0.4011093, 0.25070357, 1.2979949 ] ]
-45.869215
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ -0.00005179, 0.00006375, 0.00006299 ], [ 0.00096313, -0.00412872, -0.00197694 ], [ 0.00320708, -0.00132921, 0.00144071 ], [ -0.00010246, 0.00063243, -0.00038941 ], [ -0.00122963, 0.00185606, -0.00164833 ], [ -0.00168938, -0.0001039, -0.00492915 ], [ -0.00171086, 0.00013583, 0.0021059 ], [ -0.00095738, -0.00130378, 0.00062611 ], [ 0.00131444, 0.00036877, -0.00233095 ], [ 0.00246048, 0.00247187, 0.00429575 ], [ -0.00220362, 0.0013369, 0.00274331 ] ]
0
3.022095
pbe
true
40ab587557a071d75a43760308ea3a28_2_K1Te2F8
[ "F", "K", "Y" ]
28
A10B3C
F10KY3
K2 Y6 F20
3
[ 1, 1, 1 ]
3
[ [ 8.2719295, 0, 0 ], [ 4.13596475, 7.16370109, 0 ], [ 4.13596475, 2.38790036, 6.75400216 ] ]
agm003236402
[ [ 12.407894250000002, 7.163701088881489, 2.2663252815543506 ], [ 10.12237634213182, 8.483245467248079, 5.998560399481883 ], [ 14.693412157868181, 8.483245467248079, 5.998560399481883 ], [ 12.407894250000002, 4.524612326622352, 5.998560399481883 ], [ 6.4214826578681805, 1.0683559827519211, 0.7554417605181168 ], [ 4.13596475, 2.38790036111851, 4.487676878445649 ], [ 1.85044684213182, 1.0683559827519211, 0.7554417605181168 ], [ 4.13596475, 5.026989123377648, 0.7554417605181168 ], [ 8.2719295, 3.199425385806805, 5.6063324629033175 ], [ 11.002291675589495, 4.775800725, 3.37700108 ], [ 5.541567324410506, 4.775800725, 3.37700108 ], [ 8.2719295, 6.352176064193196, 1.1476696970966824 ], [ 9.637110587794748, 5.56398839294622, 5.6063324629033175 ], [ 6.906748412205253, 7.140363732139415, 3.37700108 ], [ 9.637110587794748, 2.411237717860585, 3.37700108 ], [ 6.906748412205253, 3.9876130570537804, 1.1476696970966824 ], [ 6.906748412205253, 5.56398839294622, 5.6063324629033175 ], [ 6.906748412205253, 2.411237717860585, 3.37700108 ], [ 9.637110587794748, 7.140363732139415, 3.37700108 ], [ 9.637110587794748, 3.9876130570537804, 1.1476696970966824 ], [ 12.40789425, 7.1637010875, 5.06550162 ], [ 4.13596475, 2.3879003625, 1.68850054 ], [ 8.2719295, 2.2968074080834517, 1.6240880941802311 ], [ 8.2719295, 7.254794041916549, 5.129914065819769 ], [ 10.418800687606437, 6.015297384755959, 1.6240880941802311 ], [ 6.125058312393565, 3.536304065244041, 5.129914065819769 ], [ 6.125058312393565, 6.015297384755959, 1.6240880941802311 ], [ 10.418800687606435, 3.536304065244041, 5.129914065819769 ] ]
[{"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
[ "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "K", "K", "Y", "Y", "Y", "Y", "Y", "Y" ]
2023-11-16 06:57:59
[ 0.7142857142857143, 0.07142857142857142, 0.21428571428571427 ]
[ [ 1.9849054, 0, 0 ], [ 0, 1.9849054, 0 ], [ 0, 0, 1.9849054 ] ]
-189.403092
[ 0, 0, 0, 0, 0, 0, 0, 0, 0.028, 0.028, 0.028, 0.028, 0.028, 0.028, 0.028, 0.028, 0.028, 0.028, 0.028, 0.028, 0, 0, -0.002, -0.002, -0.002, -0.002, -0.002, -0.002 ]
[ [ 0, 0, 0.00082527 ], [ 0.00067383, -0.00038904, -0.00027509 ], [ -0.00067383, -0.00038904, -0.00027509 ], [ 0, 0.00077807, -0.00027509 ], [ -0.00067383, 0.00038904, 0.00027509 ], [ 0, 0, -0.00082527 ], [ 0.00067383, 0.00038904, 0.00027509 ], [ 0, -0.00077807, 0.00027509 ], [ 0, 0.00088638, -0.00125353 ], [ -0.00153525, 0, 0 ], [ 0.00153525, 0, 0 ], [ 0, -0.00088638, 0.00125353 ], [ -0.00076763, -0.00044319, -0.00125353 ], [ 0.00076763, -0.00132957, 0 ], [ -0.00076763, 0.00132957, 0 ], [ 0.00076763, 0.00044319, 0.00125353 ], [ 0.00076763, -0.00044319, -0.00125353 ], [ 0.00076763, 0.00132957, 0 ], [ -0.00076763, -0.00132957, 0 ], [ -0.00076763, 0.00044319, 0.00125353 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.00201423, 0.00142428 ], [ 0, -0.00201423, -0.00142428 ], [ -0.00174438, -0.00100712, 0.00142428 ], [ 0.00174438, 0.00100712, -0.00142428 ], [ 0.00174438, -0.00100712, 0.00142428 ], [ -0.00174438, 0.00100712, -0.00142428 ] ]
0.363372
0
pbe
true
05eff97e60103315aca1d4a83a95c10c_225_K2Y6F20
[ "F", "Lu", "Pt" ]
36
A7BC
F7LuPt
Lu4 Pt4 F28
3
[ 1, 1, 1 ]
3
[ [ 5.46373111, 0, 0 ], [ 0, 8.7111135, -0.00597151 ], [ 0, 5.40276151, 10.49973398 ] ]
agm003244298
[ [ 1.4262885388543483, 8.531123577900889, 2.7727355627690415 ], [ 4.037442571145652, 5.582751432099111, 7.721026907230959 ], [ 4.158154093854349, 2.881370677099111, 2.4711599172309584 ], [ 1.305577016145652, 11.23250433290089, 8.022602552769042 ], [ 4.1496068514551085, 6.576160186108565, 0.45162416511573505 ], [ 1.3141242585448916, 7.537714823891435, 10.042138304884265 ], [ 1.4177412964551088, 4.836334068891436, 4.792271314884265 ], [ 4.0459898135448915, 9.277540941108565, 5.701491155115735 ], [ 5.134629495242616, 8.349361461494768, 4.355533053849783 ], [ 0.32910161475738464, 5.7645135485052315, 6.138229416150218 ], [ 2.4027639402426155, 3.0631327935052317, 0.8883624261502179 ], [ 3.060967169757385, 11.050742216494768, 9.605400043849782 ], [ 2.5324957551900553, 7.064190149816361, 1.4563918163231881 ], [ 2.931235354809945, 7.049684860183639, 9.037370653676811 ], [ 5.264361310190056, 4.348304105183639, 3.787503663676812 ], [ 0.1993697998099448, 9.765570904816363, 6.706258806323189 ], [ 5.202064121260391, 7.475858644192187, 1.8567437064150112 ], [ 0.2616669887396093, 6.638016365807813, 8.637018763584988 ], [ 2.470198566260391, 3.936635610807812, 3.3871517735849888 ], [ 2.9935325437396094, 10.177239399192187, 7.106610696415012 ], [ 4.24357909266071, 4.915470684236314, 1.5060731365898807 ], [ 1.2201520173392906, 9.198404325763686, 8.987689333410119 ], [ 1.5117135376607096, 6.4970235707636865, 3.7378223434101194 ], [ 3.9520175723392907, 7.616851439236314, 6.755940126589881 ], [ 5.110705892929747, 2.649140986433659, 0.4664310305690869 ], [ 0.3530252170702528, 11.464734023566342, 10.027331439430913 ], [ 2.378840337929747, 8.763353268566343, 4.777464449430913 ], [ 3.0848907720702528, 5.350521741433659, 5.716298020569087 ], [ 4.078195667298164, 10.964781773413117, 4.704417811614649 ], [ 1.3855354427018358, 3.1490932365868827, 5.789344658385351 ], [ 1.3463301122981641, 0.4477124815868823, 0.5394776683853509 ], [ 4.117400997701837, 13.666162528413118, 9.95428480161465 ], [ 3.167682634942772, 9.726278969411966, 2.442217363105137 ], [ 2.2960484750572285, 4.387596040588032, 8.051545106894864 ], [ 0.43581707994277175, 1.6862152855880321, 2.8016781168948635 ], [ 5.027914030057229, 12.427659724411967, 7.6920843531051375 ] ]
[{"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}]
[ "Lu", "Lu", "Lu", "Lu", "Pt", "Pt", "Pt", "Pt", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F" ]
2023-11-16 06:57:59
[ 0.7777777777777778, 0.1111111111111111, 0.1111111111111111 ]
[ [ 2.5896032, 0, 0 ], [ 0, 2.5108104, -0.02936709 ], [ 0, -0.02936707, 2.5495565 ] ]
-187.751432
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0.00037089, -0.00110931, 0.00105699 ], [ -0.00037089, 0.00110931, -0.00105699 ], [ 0.00037089, 0.00110931, -0.00105699 ], [ -0.00037089, -0.00110931, 0.00105699 ], [ 0.00365613, -0.00110713, -0.00271587 ], [ -0.00365613, 0.00110713, 0.00271587 ], [ 0.00365613, 0.00110713, 0.00271587 ], [ -0.00365613, -0.00110713, -0.00271587 ], [ -0.00267794, -0.00120177, -0.00219501 ], [ 0.00267794, 0.00120177, 0.00219501 ], [ -0.00267794, 0.00120177, 0.00219501 ], [ 0.00267794, -0.00120177, -0.00219501 ], [ 0.00388586, -0.00045239, 0.00335772 ], [ -0.00388586, 0.00045239, -0.00335772 ], [ 0.00388586, 0.00045239, -0.00335772 ], [ -0.00388586, -0.00045239, 0.00335772 ], [ -0.0027003, 0.00321701, 0.00264869 ], [ 0.0027003, -0.00321701, -0.00264869 ], [ -0.0027003, -0.00321701, -0.00264869 ], [ 0.0027003, 0.00321701, 0.00264869 ], [ 0.00319803, -0.00246328, -0.00203134 ], [ -0.00319803, 0.00246328, 0.00203134 ], [ 0.00319803, 0.00246328, 0.00203134 ], [ -0.00319803, -0.00246328, -0.00203134 ], [ 0.00074748, -0.0006755, 0.00577794 ], [ -0.00074748, 0.0006755, -0.00577794 ], [ 0.00074748, 0.0006755, -0.00577794 ], [ -0.00074748, -0.0006755, 0.00577794 ], [ 0.00615135, 0.00015741, -0.00131307 ], [ -0.00615135, -0.00015741, 0.00131307 ], [ 0.00615135, -0.00015741, 0.00131307 ], [ -0.00615135, 0.00015741, -0.00131307 ], [ 0.00315255, -0.00391073, 0.00196806 ], [ -0.00315255, 0.00391073, -0.00196806 ], [ 0.00315255, 0.00391073, -0.00196806 ], [ -0.00315255, -0.00391073, 0.00196806 ] ]
0.000001
0
pbe
true
b2575121b380d71fe1b91dcd3e836ae3_14_Lu4Pt4F28
[ "F", "Mg", "Tl" ]
17
A10B4C3
F10Mg3Tl4
Mg3 Tl4 F10
3
[ 1, 1, 1 ]
3
[ [ 4.07853453, 0, -0.5538037 ], [ -0.07519823, 4.07784153, -0.55380371 ], [ 0.06719723, 0.06844726, 15.79015252 ] ]
agm005585063
[ [ 0.5559806918544173, 0.5663277774663584, 4.094555648699613 ], [ 3.514552838145582, 3.579961012533641, 10.587989461300387 ], [ 0, 0, 0 ], [ 2.280796281688887, 2.323243614270714, 1.5018611710441503 ], [ 1.7897372483111131, 1.8230451757292858, 13.180683938955848 ], [ 1.2254725725552744, 1.2482792451756093, 9.02512043704217 ], [ 2.8450609574447254, 2.8980095448243905, 5.657424672957831 ], [ 0.5203533955467657, 2.6072570577145795, 3.832190422650706 ], [ 0.2778491835869489, 0.2830200992886133, 2.0462609348292102 ], [ 2.5972197755467654, 0.5683362927145799, 3.832190427650706 ], [ 3.5501801344532344, 1.53903173228542, 10.850354687349293 ], [ 1.473313754453234, 3.5779524972854198, 10.850354682349293 ], [ 3.7926843464130506, 3.8632686907113865, 12.636284175170788 ], [ 0.822930032366914, 0.8382451820153599, 6.060528394371452 ], [ 3.247603497633086, 3.30804360798464, 8.622016715628547 ], [ -0.037599115, 2.038920765, -0.276901855 ], [ 2.039267265, 0, -0.27690185 ] ]
[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}]
[ "Mg", "Mg", "Mg", "Tl", "Tl", "Tl", "Tl", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F" ]
2023-11-16 06:57:59
[ 0.5882352941176471, 0.17647058823529413, 0.23529411764705882 ]
[ [ 1.5881171, 0.00024481, 0.00177028 ], [ 0.00024481, 1.5881264, 0.00180317 ], [ 0.00177028, 0.00180317, 1.6009156 ] ]
-79.036622
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0.00035346, 0.00036004, 0.00260312 ], [ -0.00035346, -0.00036004, -0.00260312 ], [ 0, 0, 0 ], [ 0.00008275, 0.00008429, 0.00060944 ], [ -0.00008275, -0.00008429, -0.00060944 ], [ 0.00045816, 0.00046668, 0.00337414 ], [ -0.00045816, -0.00046668, -0.00337414 ], [ 0.00014354, 0.00014621, 0.00105714 ], [ -0.00014483, -0.00014753, -0.00106663 ], [ 0.00014354, 0.00014621, 0.00105714 ], [ -0.00014354, -0.00014621, -0.00105714 ], [ -0.00014354, -0.00014621, -0.00105714 ], [ 0.00014483, 0.00014753, 0.00106663 ], [ -0.00051472, -0.0005243, -0.00379071 ], [ 0.00051472, 0.0005243, 0.00379071 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
0
pbe
true
238e9c157da9609593601e9a1a4d665d_139_Mg3Tl4F10
[ "F", "Mn", "O" ]
18
A4B3C2
F2Mn3O4
Mn6 O8 F4
3
[ 1, 1, 1 ]
3
[ [ 4.66967205, 0.00061636, 0.02293854 ], [ 0.36236576, 5.51333647, 0.0016527 ], [ 0.45104561, 0.60892407, 7.67095554 ] ]
agm005252076
[ [ 2.6500139535548914, 1.326092751707776, 6.3360202263329946 ], [ 2.74154171, 3.06143845, 3.84777339 ], [ 2.8330694664451084, 4.7967841482922235, 1.3595265536670047 ], [ 0.225522805, 0.304462035, 3.83547777 ], [ 4.7778295635973675, 1.868819291629732, 1.2753814491714137 ], [ 0.7052538564026327, 4.2540576083702675, 6.420165330828586 ], [ 3.8899849591010813, 0.375783624519264, 2.1055024779501412 ], [ 3.9682381325238407, 5.36640504351707, 7.1951855836479295 ], [ 3.588698020325268, 1.468936555638657, 4.6431469804752385 ], [ 3.564520982334854, 3.1406631601309614, 2.0764805135094466 ], [ 1.8943853996747317, 4.653940344361343, 3.0523997995247614 ], [ 1.5148452874761598, 0.756471856482929, 0.50036119635207 ], [ 1.918562437665146, 2.9822137398690383, 5.619066266490552 ], [ 1.5930984608989183, 5.747093275480736, 5.590044302049858 ], [ 4.300719527928893, 4.26205545100825, 4.59094550987758 ], [ 4.296390737333571, 2.652046029011624, 7.077036644751016 ], [ 1.1823638920711073, 1.8608214489917496, 3.1046012701224197 ], [ 1.1866926826664292, 3.4708308709883755, 0.6185101352489831 ] ]
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}]
[ "Mn", "Mn", "Mn", "Mn", "Mn", "Mn", "O", "O", "O", "O", "O", "O", "O", "O", "F", "F", "F", "F" ]
2023-11-16 06:57:59
[ 0.2222222222222222, 0.3333333333333333, 0.4444444444444444 ]
[ [ 1.5712174, -0.07720153, 0.24316773 ], [ -0.07720133, 1.3847815, 0.19662765 ], [ 0.24316753, 0.19662744, 1.6944485 ] ]
-122.927493
[ 3.55, 3.908, 3.55, 3.754, 3.955, 3.955, -0.211, -0.135, -0.142, -0.122, -0.142, -0.135, -0.122, -0.211, 0.028, 0.023, 0.028, 0.023 ]
[ [ -0.00573599, -0.0003902, 0.0045662 ], [ 0, 0, 0 ], [ 0.00573599, 0.0003902, -0.0045662 ], [ 0, 0, 0 ], [ 0.00335777, 0.00132491, 0.00041269 ], [ -0.00335777, -0.00132491, -0.00041269 ], [ -0.00191823, -0.00172178, -0.00168272 ], [ -0.00143313, 0.00052751, 0.001642 ], [ 0.00188572, 0.00247169, 0.0005564 ], [ 0.00095683, 0.00102809, 0.00035169 ], [ -0.00188572, -0.00247169, -0.0005564 ], [ 0.00143313, -0.00052751, -0.001642 ], [ -0.00095683, -0.00102809, -0.00035169 ], [ 0.00191823, 0.00172178, 0.00168272 ], [ 0.00098263, 0.00112456, 0.00003206 ], [ -0.00196127, 0.00245977, -0.00023183 ], [ -0.00098263, -0.00112456, -0.00003206 ], [ 0.00196127, -0.00245977, 0.00023183 ] ]
21.99991
3.585858
pbe
true
4580aaa6d30ec26493451c3ec30402f9_2_Mn6O8F4
[ "F", "O", "Sr" ]
5
A2B2C
FO2Sr2
Sr2 O2 F1
3
[ 1, 1, 1 ]
3
[ [ 3.92289336, 0, 0 ], [ 0, 3.92289336, 0 ], [ 1.96144668, 1.96144668, 6.44995715 ] ]
agm002938177
[ [ 1.9614466603855332, 1.9614466603855332, 1.8655557427643956 ], [ 3.922893379614467, 3.922893379614467, 4.584401407235605 ], [ 3.92289336, 1.96144668, 3.224978575 ], [ 1.96144668, 3.92289336, 3.224978575 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]
[ "Sr", "Sr", "O", "O", "F" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.4 ]
[ [ 0.889203, 0, 0 ], [ 0, 0.889203, 0 ], [ 0, 0, 0.55161387 ] ]
-27.15948
[ 0, 0, -0.427, -0.427, 0 ]
[ [ 0, 0, 0.01161128 ], [ 0, 0, -0.01161128 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-1.000005
1.496718
pbe
true
9ebb6a39980647f4e613eff0a0d96777_139_Sr2O2F1
[ "F", "O", "V" ]
12
A5B4C3
F5O3V4
V4 O3 F5
3
[ 1, 1, 1 ]
3
[ [ 5.73066259, -0.00415629, -0.00351966 ], [ -1.4335991, 5.54845065, 0.00351966 ], [ -1.95522261, -2.92196996, 4.5254524 ] ]
agm003210057
[ [ 1.1423285219832044, -0.8853530932615176, 3.3500656003056477 ], [ 1.2728499775930977, 3.450837724945368, 1.263224981414233 ], [ 3.930909786222037, 1.3907285370148752, 2.134795854881794 ], [ 0.031165124402905996, -0.024154294355875003, 0.037327198188878 ], [ 2.855261489454573, 2.2244016277308, 0.8464667394291264 ], [ 2.7093664633026133, -2.0998740202829125, 3.245071562511264 ], [ 1.1234517474078314, -0.8707227941942876, 1.3455844260073981 ], [ 4.035212440197135, -0.41260732984571025, 1.159914029112218 ], [ 2.3788622787335907, 0.8711387992334877, 3.373532143014738 ], [ -0.5891813441644386, 0.45664055767386236, 3.5882452571991337 ], [ -0.027414368399903643, 1.7437353070938904, 1.1634336891122181 ], [ -1.6837645298634478, 3.0274814361730877, 3.3770518030147376 ] ]
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]
[ "V", "V", "V", "V", "O", "O", "O", "F", "F", "F", "F", "F" ]
2023-11-16 06:57:59
[ 0.4166666666666667, 0.25, 0.3333333333333333 ]
[ [ 2.1153069, -0.02447076, -0.00048865 ], [ -0.02447076, 2.1026993, 0.00037873 ], [ -0.00048865, 0.00037873, 2.1343405 ] ]
-83.308884
[ 2.277, 2.277, 2.141, 2.102, -0.139, -0.099, -0.108, 0.002, 0.002, -0.003, 0.002, 0.002 ]
[ [ 0.00204214, -0.00158275, -0.00116142 ], [ -0.00080482, 0.00062377, 0.00264339 ], [ 0.00153894, -0.00119274, 0.00184322 ], [ -0.00162289, 0.00125781, -0.00194377 ], [ -0.00031516, 0.00024426, -0.00037748 ], [ -0.00176528, 0.00136816, -0.00211431 ], [ -0.0007009, 0.00054323, -0.00083949 ], [ 0.00149753, 0.00240074, 0.00142944 ], [ 0.00284011, 0.00136018, -0.00036485 ], [ -0.00014972, 0.00011604, -0.00017932 ], [ -0.00195127, -0.00204907, 0.00142944 ], [ -0.00060868, -0.00308963, -0.00036485 ] ]
8.999999
-0.111189
pbe
true
5f935f39992418716d90e02dcb0190aa_44_V4O3F5
[ "F", "O", "Zn" ]
6
A3B2C
FO2Zn3
Zn3 O2 F1
3
[ 1, 1, 1 ]
3
[ [ 3.3794995, 0, 0 ], [ 0, 4.78536202, 0 ], [ -1.68974975, -2.39268101, 5.09845959 ] ]
agm003424403
[ [ 0, 4.572038189874012, 0 ], [ -1.6897497478832684e-8, 0.09713674766942465, 3.244302739920104 ], [ 1.6897497668974977, 2.4898178055230447, 1.854156850079896 ], [ 1.6897514397497497, 1.1744278537742177, 3.377397976532458 ], [ -0.0000016897497499749718, 3.5671088637742185, 1.7210616134675418 ], [ 1.68974975, 1.2254267010154831, 0 ] ]
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Zn", "Zn", "Zn", "O", "O", "F" ]
2023-11-16 06:57:59
[ 0.16666666666666666, 0.3333333333333333, 0.5 ]
[ [ 0.95323193, 0, 0 ], [ 0, 1.054899, 0 ], [ 0, 0, 1.0818427 ] ]
-23.779333
[ 0, 0, 0, 0, 0, 0 ]
[ [ 0, -0.00312945, 0 ], [ 0, 0.00313009, -0.00119905 ], [ 0, 0.00313009, 0.00119905 ], [ 0, 0.00164749, -0.00030558 ], [ 0, 0.00164749, 0.00030558 ], [ 0, -0.00642572, 0 ] ]
0
0.755184
pbe
true
4074957bda52bc75bf88bb0a7055d4df_44_Zn3O2F1
[ "F", "Os", "Sn" ]
4
A2BC
FOs2Sn
Sn1 Os2 F1
3
[ 1, 1, 1 ]
3
[ [ 0, 3.13360141, 3.13360141 ], [ 3.13360141, 0, 3.13360141 ], [ 3.13360141, 3.13360141, 0 ] ]
agm002671678
[ [ 1.566800705, 1.566800705, 1.566800705 ], [ 4.700402114999999, 4.700402114999999, 4.700402114999999 ], [ 3.13360141, 3.13360141, 3.13360141 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}]
[ "Os", "Os", "Sn", "F" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ -1.2889471, 0, 0 ], [ 0, -1.2889471, 0 ], [ 0, 0, -1.2889471 ] ]
-25.371317
[ 0.877, 0.877, -0.052, 0.108 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
1.889586
3.072644
pbe
true
7c3bd1c46cab3f8039f5396eb6c28677_225_Sn1Os2F1
[ "F", "Pb", "Pu" ]
3
ABC
FPbPu
Pu1 Pb1 F1
3
[ 1, 1, 1 ]
3
[ [ 3.3713453, 0, 0 ], [ 0, 3.3713453, 0 ], [ -1.68567265, -1.68567265, 6.23605868 ] ]
agm001831160
[ [ -1.6856726500102892e-8, -1.6856726500102892e-8, 0.0219623385409844 ], [ 1.6856726668567268, 1.6856726668567268, 2.7181039748264655 ], [ -3.1149743094431413e-17, -3.1149743094431413e-17, 3.4959923666325503 ] ]
[{"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"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"]}]
[ "Pb", "Pu", "F" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 0.46140698, 0, 0 ], [ 0, 0.46140698, 0 ], [ 0, 0, 0.89184743 ] ]
-24.009838
[ -0.024, 5.622, -0.014 ]
[ [ 0, 0, 0.00253881 ], [ 0, 0, -0.00033159 ], [ 0, 0, -0.00220723 ] ]
5.833796
8.632997
pbe
true
e83bcc1c1863de4e6faf363f34b3dabd_107_Pu1Pb1F1
[ "F", "Sm", "Tl" ]
10
A7B2C
F7Sm2Tl
Sm2 Tl1 F7
3
[ 1, 1, 1 ]
3
[ [ 4.50513688, 0, 0 ], [ 0, 6.88367695, 0.00593747 ], [ 0, -3.03139058, 6.1802748 ] ]
agm003512226
[ [ 2.25256844, 3.8453242573423148, 1.8979887442511725 ], [ 2.25256844, 0.006962112657684954, 4.288223525748828 ], [ 0, 0, 0 ], [ 0, 4.00798439719279, 1.7966953427451247 ], [ 0, -0.1556980271927907, 4.389516927254876 ], [ 2.25256844, -0.7053483608021133, 2.0648622663940386 ], [ 2.25256844, 4.557634730802114, 4.121350003605962 ], [ 2.25256844, 2.1642364245595465, 0.2779023444273818 ], [ 2.25256844, 1.6880499454404534, 5.908309925572619 ], [ 2.25256844, 1.926143185, 3.093106135 ] ]
[{"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"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}]
[ "Sm", "Sm", "Tl", "F", "F", "F", "F", "F", "F", "F" ]
2023-11-16 06:57:59
[ 0.7, 0.2, 0.1 ]
[ [ 1.3290658, 0, 0 ], [ 0, 1.5839304, -0.04293421 ], [ 0, -0.04293421, 1.5417237 ] ]
-61.355418
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, -0.00089273, 0.00055592 ], [ 0, 0.00089273, -0.00055592 ], [ 0, 0, 0 ], [ 0, -0.00050269, 0.00031304 ], [ 0, 0.00050269, -0.00031304 ], [ 0, -0.00316151, 0.00336194 ], [ 0, 0.00316151, -0.00336194 ], [ 0, 0.00441181, -0.00135414 ], [ 0, -0.00441181, 0.00135414 ], [ 0, 0, 0 ] ]
0
0
pbe
true
a0500b1a4cd5e45e932dedafa5dbc9c8_65_Sm2Tl1F7
[ "Fe", "Ga", "Sc" ]
13
A6B6C
Fe6Ga6Sc
Sc1 Ga6 Fe6
3
[ 1, 1, 1 ]
3
[ [ 6.50629733, 0.00026253, -0.00095982 ], [ -0.84563035, 6.45110954, 0.00095982 ], [ -1.06396144, -4.77556471, 4.28880796 ] ]
agm003213425
[ [ 0, 0, 0 ], [ 1.7784833123248163, -1.560505527423137, 1.4012120010426263 ], [ 1.9277889349883675, 2.1970703692657434, 1.6443508270952423e-20 ], [ 3.732878045011632, 4.254301700734256, 3.869599580281213e-20 ], [ 4.551400549008359, -0.30176411858468155, 2.1439240699999997 ], [ 0.04530499099164109, 1.977571478584681, 2.14488389 ], [ 3.6638525776751836, -3.2147966525768634, 2.886636138957374 ], [ 4.226309353756182, 2.0008063656523074, 1.0998462116037897 ], [ -0.53198072, -2.387782355, 2.14440398 ], [ -0.422815175, 3.22555477, 0.00047991 ], [ 3.253148665, 0.000131265, -0.00047991 ], [ 2.29835277, 0.8379036799999997, 2.14440398 ], [ 0.3703961862438177, -0.3249990056523073, 3.18896174839621 ] ]
[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Sc", "Ga", "Ga", "Ga", "Ga", "Ga", "Ga", "Fe", "Fe", "Fe", "Fe", "Fe", "Fe" ]
2023-11-16 06:57:59
[ 0.46153846153846156, 0.46153846153846156, 0.07692307692307693 ]
[ [ 7.1798105, -0.00892543, 0.12665673 ], [ -0.00892543, 7.1774697, -0.11113318 ], [ 0.12665673, -0.11113318, 7.002905 ] ]
-79.351225
[ -0.179, -0.057, -0.069, -0.069, -0.073, -0.073, -0.057, 1.939, 1.906, 1.906, 1.906, 1.906, 1.939 ]
[ [ 0, 0, 0 ], [ 0.00195554, -0.00171586, 0.00154071 ], [ 0.00255024, 0.00290647, 0 ], [ -0.00255024, -0.00290647, 0 ], [ -0.00320302, -0.00365043, 0 ], [ 0.00320302, 0.00365043, 0 ], [ -0.00195554, 0.00171586, -0.00154071 ], [ -0.00342173, 0.00300235, -0.00269587 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00342173, -0.00300235, 0.00269587 ] ]
10.785306
7.355107
pbe
true
80458c4237d31ec23f3ed46cf711031d_71_Sc1Ga6Fe6
[ "Fe", "Ge", "Ho" ]
20
A5B3C2
Fe3Ge5Ho2
Fe3 Ge5 Ho2
3
[ 1, 1, 1 ]
3
[ [ -4.77094562, 6.037831389, 2.799395431 ], [ 4.77094562, -6.037831389, 2.799395431 ], [ 4.77094562, 6.037831389, -2.799395431 ] ]
oqmd-9496306
[ [ 8.75959686033669e-17, 2.5431015300210746e-17, 1.3997 ], [ 1.9774719966752742e-16, 1.2857588713966398e-16, 4.19909 ], [ -0.85633, 4.27083, 2.7994 ], [ 0.8563300000000004, 4.270830000000001, -9.965014805200311e-17 ], [ 3.91462, 1.7670100000000009, 2.7994000000000003 ], [ 5.627270000000001, 1.7670099999999995, 7.161820364877848e-17 ], [ -3.07449, 5.00975, 2.799399999999999 ], [ 2.3093134863281797e-18, 2.5359500000000006, 1.3996999999999995 ], [ -6.638245012887658e-16, 2.535950000000001, 4.19909 ], [ 1.69646, 1.0280900000000002, 2.7994 ], [ -2.5678458005065667e-16, 6.0378300000000005, 1.3997000000000004 ], [ 4.770950000000001, -1.2131562646105635e-16, 1.3997000000000002 ], [ 3.07449, 5.00975, -7.428093276692087e-18 ], [ 4.770950000000001, 3.5018900000000004, -1.3997000000000002 ], [ 4.770950000000001, 3.5018899999999995, 1.3996999999999995 ], [ 7.845430000000001, 1.0280900000000002, 1.3467797576004556e-16 ], [ 2.57415, -1.7260800000000005, 2.7994 ], [ 2.5741500000000004, 1.72608, -5.4178444457887245e-17 ], [ 2.1967900000000005, 4.31175, 2.7994 ], [ 2.1967900000000005, 7.7639200000000015, -1.0428281549629631e-16 ] ]
[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}]
[ "Fe", "Fe", "Fe", "Fe", "Fe", "Fe", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ho", "Ho", "Ho", "Ho" ]
2024-11-01 00:00:00
[ 0.3, 0.5, 0.2 ]
[ [ 5.07174, 0, 0 ], [ 0, 5.15594, 0 ], [ 0, 0, 3.73557 ] ]
-123.932
[ -0.005, -0.005, 0.004, 0.004, 0.004, 0.004, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, -0.001, -0.001, -0.001, -0.001 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.015962, -0.001752, 0 ], [ 0.015962, -0.001752, 0 ], [ -0.015962, 0.001752, 0 ], [ 0.015962, 0.001752, 0 ], [ 0.03096, -0.017988, 0 ], [ 0, 0.011295, 0 ], [ 0, 0.011295, 0 ], [ 0.03096, 0.017988, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.03096, -0.017988, 0 ], [ 0, -0.011295, 0 ], [ 0, -0.011295, 0 ], [ -0.03096, 0.017988, 0 ], [ 0.002095, 0.006534, 0 ], [ 0.002095, -0.006534, 0 ], [ -0.002095, 0.006534, 0 ], [ -0.002095, -0.006534, 0 ] ]
0.00231
null
pbe
true
56fb8011d5396ba4cb6f06a2b0ee203b_72_Ho4Fe6Ge10
[ "Fe", "Ge", "Se" ]
4
A2BC
FeGeSe2
Fe1 Ge1 Se2
3
[ 1, 1, 1 ]
3
[ [ 0, 3.25405049, 3.25405049 ], [ 3.25405049, 0, 3.25405049 ], [ 3.25405049, 3.25405049, 0 ] ]
agm002675361
[ [ 3.25405049, 3.25405049, 3.25405049 ], [ 0, 0, 0 ], [ 1.627025245, 1.627025245, 1.627025245 ], [ 4.881075735, 4.881075735, 4.881075735 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}]
[ "Ge", "Fe", "Se", "Se" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
[ [ 55.355934, 0, 0 ], [ 0, 55.355934, 0 ], [ 0, 0, 55.355934 ] ]
-18.740368
[ 0.04, 3.006, 0.054, 0.054 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
3.222162
3.74873
pbe
true
c15d007c1a42838a5a29d6b7ff0a901f_225_Fe1Ge1Se2
[ "Fe", "Ge", "Sm" ]
6
ABC
FeGeSm
Sm2 Fe2 Ge2
3
[ 1, 1, 1 ]
3
[ [ 4.14068674, 0, 0 ], [ 0, 4.14068674, 0 ], [ 0, 0, 6.73265851 ] ]
agm002272669
[ [ 1.035171685, 1.035171685, 1.2528559825755088 ], [ 3.1055150549999997, 3.1055150549999997, 5.479802527424492 ], [ 3.1055150549999997, 1.035171685, 0 ], [ 1.035171685, 3.1055150549999997, 0 ], [ 1.035171685, 1.035171685, 4.642022011281918 ], [ 3.1055150549999997, 3.1055150549999997, 2.090636498718082 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}]
[ "Ge", "Ge", "Fe", "Fe", "Sm", "Sm" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 3.9581876, 0, 0 ], [ 0, 3.9581876, 0 ], [ 0, 0, 3.8035848 ] ]
-38.594366
[ -0.001, -0.001, 0.018, 0.018, 0.001, 0.001 ]
[ [ 0, 0, 0.01052952 ], [ 0, 0, -0.01052952 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.01473248 ], [ 0, 0, 0.01473248 ] ]
0.04075
6.980486
pbe
true
9164633952bf6d38444390de5df43c5a_129_Sm2Fe2Ge2
[ "Fe", "Ge", "Tc" ]
10
A2B2C
Fe2Ge2Tc
Fe4 Tc2 Ge4
3
[ 1, 1, 1 ]
3
[ [ 6.86747118, 0, 0 ], [ 0, 6.86747118, 0 ], [ 0, 0, 2.73482786 ] ]
agm002976218
[ [ 2.4024338453064638, 5.836169435306464, 0 ], [ 5.836169435306464, 4.465037334693537, 0 ], [ 4.465037334693537, 1.0313017446935364, 0 ], [ 1.0313017446935364, 2.4024338453064638, 0 ], [ 0, 0, 0 ], [ 3.43373559, 3.43373559, 0 ], [ 1.0149520126817513, 4.448687602681752, 1.36741393 ], [ 4.448687602681752, 5.852519167318248, 1.36741393 ], [ 5.852519167318248, 2.4187835773182487, 1.36741393 ], [ 2.4187835773182487, 1.0149520126817513, 1.36741393 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}]
[ "Ge", "Ge", "Ge", "Ge", "Tc", "Tc", "Fe", "Fe", "Fe", "Fe" ]
2023-11-16 06:57:59
[ 0.4, 0.4, 0.2 ]
[ [ 6.4593453, 0, 0 ], [ 0, 6.4593453, 0 ], [ 0, 0, 7.1686716 ] ]
-72.408658
[ -0.041, -0.041, -0.041, -0.041, 0.082, 0.082, 0.868, 0.868, 0.868, 0.868 ]
[ [ 0.00454544, 0.00454544, 0 ], [ 0.00454544, -0.00454544, 0 ], [ -0.00454544, -0.00454544, 0 ], [ -0.00454544, 0.00454544, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.0044659, 0.0044659, 0 ], [ 0.0044659, -0.0044659, 0 ], [ -0.0044659, -0.0044659, 0 ], [ -0.0044659, 0.0044659, 0 ] ]
3.449806
13.047183
pbe
true
45b126c8f5ba5ccba65c4e202b84f831_127_Fe4Tc2Ge4
[ "Fe", "Hg", "I" ]
11
A7B2C2
Fe2Hg2I7
Fe2 Hg2 I7
3
[ 1, 1, 1 ]
3
[ [ 7.88469435, 1.05379063, -0.98656208 ], [ 0.49365335, 7.76245395, 0.41626651 ], [ 0.35932723, 1.05380035, 7.93800115 ] ]
agm005568396
[ [ 6.447340472889561, 6.231792246191397, 5.4364757501167285 ], [ 2.290326572416089, 3.6382516300179732, 1.9312308164453522 ], [ 6.964979140999176, 1.0537907641321715, 0.1041479760310044 ], [ 1.7726957890008235, 8.816254165867829, 7.263557603968995 ], [ 1.3662203353157099, 2.264022633753357, 3.8537616405139583 ], [ 4.708513341436727, 7.606026846134361, 6.672015695075358 ], [ 7.37145459468429, 7.606022296246643, 3.513943939486042 ], [ 4.029161588563273, 2.2640180838656403, 0.6956898849246413 ], [ 0.246826675, 3.881226975, 0.208133255 ], [ 3.030299199338295, 5.944142122753924, 2.5551865846265307 ], [ 5.707375730661706, 3.9259028072460764, 4.81251899537347 ] ]
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}]
[ "Fe", "Fe", "Hg", "Hg", "I", "I", "I", "I", "I", "I", "I" ]
2023-11-16 06:57:59
[ 0.18181818181818182, 0.18181818181818182, 0.6363636363636364 ]
[ [ 0.8828793, -0.01661296, 0.04533021 ], [ -0.0166147, 1.012511, -0.01400702 ], [ 0.04533021, -0.01400555, 0.86733276 ] ]
-29.238915
[ 3.426, 3.426, -0.085, -0.085, 0.162, 0.162, 0.162, 0.162, 0.154, 0.244, 0.244 ]
[ [ -0.00294431, -0.0004169, -0.00248267 ], [ 0.00294431, 0.0004169, 0.00248267 ], [ 0.00273854, 0, -0.00324772 ], [ -0.00273854, 0, 0.00324772 ], [ 0.00021386, 0.00007554, 0.00044326 ], [ -0.00047301, -0.00007554, -0.00013593 ], [ -0.00021386, -0.00007554, -0.00044326 ], [ 0.00047301, 0.00007554, 0.00013593 ], [ 0, 0, 0 ], [ -0.00280542, 0.00019229, -0.00236555 ], [ 0.00280542, -0.00019229, 0.00236555 ] ]
9.052497
0.946937
pbe
true
e1ecf0fdd06e03eab17733954a698b04_12_Fe2Hg2I7
[ "Fe", "Hg", "P" ]
4
A2BC
Fe2HgP
Fe2 Hg1 P1
3
[ 1, 1, 1 ]
3
[ [ 4.13633847, 0, 0 ], [ 0, 2.88074062, 0.04453615 ], [ 0, 1.27147872, 5.17113345 ] ]
agm004192709
[ [ 0, 3.695231007257277, 5.103555102150441 ], [ 2.068169235, 0.8586769653491866, 0.9426152705727986 ], [ 0, 2.261350135020372, 2.5671330901126117 ], [ 2.068169235, 3.5652902423731643, 4.425870537164149 ] ]
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "Fe", "Fe", "Hg", "P" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 5.123572, 0, 0 ], [ 0, 4.746014, 0.08547075 ], [ 0, 0.08547047, 5.084964 ] ]
-21.74956
[ 1.926, 2.096, -0.024, -0.067 ]
[ [ 0, 0.00384323, -0.00622255 ], [ 0, -0.00197378, 0.00853811 ], [ 0, -0.00187364, 0.00228781 ], [ 0, 0.00000419, -0.00460337 ] ]
3.883681
3.201611
pbe
true
d64effeae01f12cf27f5bbf8d6a72ac3_6_Fe2Hg1P1
[ "Fe", "I", "Sb" ]
6
ABC
FeISb
Fe2 Sb2 I2
3
[ 1, 1, 1 ]
3
[ [ 3.69824832, 0.95940746, -0.1383769 ], [ 1.15257746, 3.73290427, 0.18841697 ], [ -2.96956738, -1.85111529, 12.88652311 ] ]
agm001056457
[ [ -1.5573698133907774, -0.04746723953413654, 9.370246089259586 ], [ 3.4386282133907766, 2.8886636795341363, 3.566317090740414 ], [ 0.22292729691338037, -0.3339470602406032, 4.916023312588012 ], [ 1.6583311030866192, 3.1751435002406034, 8.020539867411989 ], [ 0.10566482973399892, 1.4152003753070155, 10.93530998436612 ], [ 1.7755935702660006, 1.4259960646929846, 2.0012531956338826 ] ]
[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}]
[ "Fe", "Fe", "Sb", "Sb", "I", "I" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 1.5534153, -0.06322445, 0.0972604 ], [ -0.06322405, 1.5449332, 0.20314308 ], [ 0.09726028, 0.20314339, 1.7657733 ] ]
-27.442706
[ 2.025, 2.025, -0.103, -0.103, 0.049, 0.049 ]
[ [ -0.00098502, 0.00504191, 0.00557822 ], [ 0.00098502, -0.00504191, -0.00557822 ], [ -0.00228188, -0.00397328, -0.00112332 ], [ 0.00228188, 0.00397328, 0.00112332 ], [ 0.00149483, -0.00240912, -0.00215777 ], [ -0.00149483, 0.00240912, 0.00215777 ] ]
3.837574
7.095402
pbe
true
c38c05d9d6fb609c0ab6c06b03da189d_2_Fe2Sb2I2
[ "Fe", "Mg", "Pt" ]
12
A3B2C
Fe3Mg2Pt
Mg4 Fe6 Pt2
3
[ 1, 1, 1 ]
3
[ [ 4.8977692, -0.000109, 0 ], [ -2.44897899, 4.24153805, 0 ], [ 0, 0, 8.58667095 ] ]
agm002344240
[ [ 2.4488625649935103, 1.4137679065529525, 8.064829332353723 ], [ -0.00007235499351054764, 2.8276611434470476, 3.7714938573537227 ], [ 2.4488625649935103, 1.4137679065529525, 4.815177092646278 ], [ -0.00007235499351054764, 2.8276611434470476, 0.5218416176462776 ], [ -1.1758662123461148, 3.5065060442749054, 6.440003212500001 ], [ 2.448795812726109, 2.7714969062542973, 2.1466677375 ], [ 1.2730013817538395, 0.734961217738128, 2.1466677375 ], [ 1.17578882824616, 3.506467832261872, 6.440003212500001 ], [ -0.000005602726109485341, 1.4699321437457025, 6.440003212500001 ], [ 3.624656422346115, 0.7349230057250945, 2.1466677375 ], [ 0, 0, 4.293335475 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]
[ "Mg", "Mg", "Mg", "Mg", "Fe", "Fe", "Fe", "Fe", "Fe", "Fe", "Pt", "Pt" ]
2023-11-16 06:57:59
[ 0.5, 0.3333333333333333, 0.16666666666666666 ]
[ [ 5.4912043, 0.00026664, 0 ], [ 0.00026664, 5.4915123, 0 ], [ 0, 0, 5.968465 ] ]
-70.997881
[ -0.029, -0.031, -0.031, -0.029, 2.4, 2.469, 2.332, 2.332, 2.469, 2.4, 0.174, 0.18 ]
[ [ 0.00001087, -0.00000628, -0.00806849 ], [ -0.00001087, 0.00000628, -0.00806849 ], [ 0.00001087, -0.00000628, 0.00806849 ], [ -0.00001087, 0.00000628, 0.00806849 ], [ -0.0022312, 0.00128819, 0 ], [ 0.00009452, 0.00235726, 0 ], [ -0.00199419, -0.00126048, 0 ], [ 0.00199419, 0.00126048, 0 ], [ -0.00009452, -0.00235726, 0 ], [ 0.0022312, -0.00128819, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
14.348157
13.916397
pbe
true
2145d7c28cdf45f09697c8c9346c6a6c_194_Mg4Fe6Pt2
[ "Fe", "Mn", "Os" ]
4
A2BC
FeMnOs2
Mn1 Fe1 Os2
3
[ 1, 1, 1 ]
3
[ [ 8.59576491, -0.00991842, -0.00581996 ], [ 8.18152314, 2.63627612, -0.00581996 ], [ 8.18152314, 1.28075564, 2.30426792 ] ]
agm004159408
[ [ 12.421330684358772, 1.9444654814670879, 1.14097944439076 ], [ 18.751098849566556, 2.935342869381278, 1.72240953008644 ], [ 0.1098052914779574, 0.017189188854796398, 0.01008632518088 ], [ 6.1559817100086, 0.9636724312257041, 0.56546667741564 ] ]
[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}]
[ "Fe", "Mn", "Os", "Os" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
[ [ 8.055382, -0.05078248, -0.0297983 ], [ -0.05078248, 8.371833, -0.0046647 ], [ -0.0297983, -0.0046647, 8.377046 ] ]
-39.30851
[ 2.151, 1.365, -0.176, -0.087 ]
[ [ 0.00241242, 0.00037765, 0.0002216 ], [ -0.00188755, -0.00029548, -0.00017338 ], [ -0.00126858, -0.00019859, -0.00011653 ], [ 0.00074371, 0.00011642, 0.00006831 ] ]
3.25719
3.768175
pbe
true
ccd6562370f820a2e2848d1a23f2aa84_160_Mn1Fe1Os2
[ "Ga", "Pt", "Th" ]
20
A5B3C2
Ga3Pt5Th2
Th4 Ga6 Pt10
3
[ 1, 1, 1 ]
3
[ [ 4.14351518, 0, -0.70583022 ], [ 0, 7.20993225, 0 ], [ 0.06021199, 0, 12.86844572 ] ]
agm005584733
[ [ 2.036160146256548, 5.10028646263428, 11.953090173704966 ], [ 0.7554949562501856, 5.6256614641116975, 4.43505088337142 ], [ 3.448232213749814, 2.0206953391116973, 7.72756461662858 ], [ 2.1675670237434517, 1.4953203376342799, 0.209525326295034 ], [ 3.281047619451854, 5.9019263127173325, 6.746110499356011 ], [ 2.609006913125059, 3.1370396473926148, 2.800944805960034 ], [ 0.22000646823640008, 6.328652137177349, 1.2915275370838828 ], [ 0.922679550548146, 2.2969601877173327, 5.4165050006439905 ], [ 3.9837207017635996, 2.72368601217735, 10.871087962916118 ], [ 1.5947202568749403, 6.742005772392615, 9.361670694039967 ], [ 1.693313811518196, 3.0497327031949797, 9.940442414939033 ], [ 1.2769300720751802, 4.2680333123170495, 7.496087595366446 ], [ 2.9267970979248195, 0.6630671873170499, 4.666527904633553 ], [ 0.5014506982418618, 1.4070093382715099, 2.9437076435760314 ], [ 1.1815299940636865, 0.1875314193123375, 6.936062759083641 ], [ 3.9930972318946143, 0.0690849219255975, 10.926132017470735 ], [ 3.022197175936313, 3.792497544312337, 5.226552740916359 ], [ 3.702276471758138, 5.01197546327151, 9.218907856423968 ], [ 0.21062993810538527, 3.674051046925597, 1.2364834825292663 ], [ 2.510413358481803, 6.654698828194979, 2.222173085060966 ] ]
[{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Th", "Th", "Th", "Th", "Ga", "Ga", "Ga", "Ga", "Ga", "Ga", "Pt", "Pt", "Pt", "Pt", "Pt", "Pt", "Pt", "Pt", "Pt", "Pt" ]
2023-11-16 06:57:59
[ 0.3, 0.5, 0.2 ]
[ [ 3.5283337, 0, 0.01166436 ], [ 0, 3.4161434, 0 ], [ 0.01166436, 0, 3.5948176 ] ]
-127.169185
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0.00010658, -0.00018485, 0.00062569 ], [ 0.00036529, 0.00056975, 0.00214439 ], [ -0.00036529, 0.00056975, -0.00214439 ], [ -0.00010658, -0.00018485, -0.00062569 ], [ -0.00046385, -0.00197453, -0.00272297 ], [ 0.00057713, 0.00084982, 0.00338801 ], [ 0.00038332, 0.00009311, 0.00225022 ], [ 0.00046385, -0.00197453, 0.00272297 ], [ -0.00038332, 0.00009311, -0.00225022 ], [ -0.00057713, 0.00084982, -0.00338801 ], [ -0.00034216, 0.00192309, -0.00200864 ], [ -0.0001677, 0.00136132, -0.00098447 ], [ 0.0001677, 0.00136132, 0.00098447 ], [ 0.00004163, 0.00045056, 0.0002444 ], [ -0.00036149, -0.00146842, -0.00212212 ], [ -0.00008938, -0.00161986, -0.0005247 ], [ 0.00036149, -0.00146842, 0.00212212 ], [ -0.00004163, 0.00045056, -0.0002444 ], [ 0.00008938, -0.00161986, 0.0005247 ], [ 0.00034216, 0.00192309, 0.00200864 ] ]
-0
11.094087
pbe
true
9abc4573674aee4e3d9935e5ded98ab5_36_Th4Ga6Pt10
[ "Fe", "Ni", "V" ]
12
A3B2C
FeNi3V2
V4 Fe2 Ni6
3
[ 1, 1, 1 ]
3
[ [ 4.1824099, 0, 0 ], [ -2.09120495, 6.21250216, -0.712388 ], [ 0, -3.56461485, 5.86037113 ] ]
agm003422763
[ [ 2.09120495, -2.622780281833991, 4.984544514827946 ], [ 5.633301084961317e-17, 5.27066759183399, 0.16343861517205388 ], [ 2.09120704120495, 3.165705499874998, 0.4199412374504023 ], [ -0.0000020912049499108688, -0.517818189874998, 4.728041892549598 ], [ 2.0912070621169994, 1.5507024586822384, 4.567453345418043 ], [ -0.0000021121169995673, 1.0971848513177611, 0.5805297845819574 ], [ -2.808749118005948e-17, 1.4234996417675954, 3.2341163376352458 ], [ 2.0912049290879504, 3.475199302320031, 3.0192585016856723 ], [ 2.0912028797070996, -0.6938233900037153, 3.522941167604234 ], [ 0.000002070292900518807, 3.341710700003715, 1.6250419623957657 ], [ 2.0912049496994155e-8, -0.8273119923200317, 2.1287246283143277 ], [ 2.0912049499999994, 1.2243876682324049, 1.913866792364754 ] ]
[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"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"]}]
[ "V", "V", "V", "V", "Fe", "Fe", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni" ]
2023-11-16 06:57:59
[ 0.16666666666666666, 0.5, 0.3333333333333333 ]
[ [ -3.544183, 0, 0 ], [ 0, -3.5232973, -0.02964557 ], [ 0, -0.02964433, -3.546975 ] ]
-88.945095
[ 0.017, 0.017, 0.211, 0.211, 2.293, 2.293, 0.27, 0.115, 0.113, 0.113, 0.115, 0.27 ]
[ [ 0, 0.00043565, -0.0010221 ], [ 0, -0.00043565, 0.0010221 ], [ 0, 0.00007427, -0.00077748 ], [ 0, -0.00007427, 0.00077748 ], [ 0, 0.0010189, 0.00017973 ], [ 0, -0.0010189, -0.00017973 ], [ 0, -0.00310602, -0.00020851 ], [ 0, 0.00088542, -0.00048251 ], [ 0, 0.0016681, -0.00247891 ], [ 0, -0.0016681, 0.00247891 ], [ 0, -0.00088542, 0.00048251 ], [ 0, 0.00310602, 0.00020851 ] ]
5.980041
12.914495
pbe
true
bd326b989849cb094d3e657569f75818_12_V4Fe2Ni6
[ "Fe", "O", "Rb" ]
8
A4B3C
FeO4Rb3
Rb3 Fe1 O4
3
[ 1, 1, 1 ]
3
[ [ 6.65883572, 0.0133921, 0.01026651 ], [ 3.33499528, 5.24541935, -0.07613295 ], [ 3.33499528, 1.28867432, 5.08522752 ] ]
agm002229157
[ [ 6.028701120668083, 3.745975790548692, 4.075273453275321 ], [ 7.300125159331916, 1.6392279971238977, 2.460221780705769 ], [ 5.265129718849021, 3.5516282862755046, 1.5063425348283859 ], [ 8.063696561150978, 4.17049305711477, 1.9807697979855092 ], [ 6.66441314, 3.2611377636555776, 2.5261232408900933 ], [ 10.076069970604532, 4.714884770466974, 3.9761090598861797 ], [ 9.993831, 5.010827480310938, 0.2576152725294531 ], [ 3.252756309395468, 1.4833719567186743, 1.4988024695088196 ] ]
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}]
[ "O", "O", "O", "O", "Fe", "Rb", "Rb", "Rb" ]
2023-11-16 06:57:59
[ 0.125, 0.5, 0.375 ]
[ [ 0.8418041, -0.04629436, -0.03548967 ], [ -0.04629466, 0.6760244, 0.02493187 ], [ -0.0354899, 0.02493187, 0.66261506 ] ]
-37.96855
[ -0.014, -0.007, -0.007, -0.006, 2.97, 0.002, 0.001, 0.003 ]
[ [ -0.00446509, -0.00161501, 0.00190056 ], [ 0.00446509, -0.00141595, 0.00205317 ], [ -0.00295296, -0.00251374, -0.00116279 ], [ 0.00295296, 0.0017757, 0.00212553 ], [ 0, 0.00355022, -0.00463107 ], [ -0.00165897, 0.00182116, -0.00057623 ], [ 0, -0.00168589, 0.00219915 ], [ 0.00165897, 0.00008352, -0.00190832 ] ]
3
0
pbe
true
e4eb53e937fa004728edf09d82585982_5_Rb3Fe1O4
[ "Fe", "O", "Si" ]
39
A8B3C2
Fe3O8Si2
Fe9 Si6 O24
3
[ 1, 1, 1 ]
3
[ [ 5.18468016, -0.18175146, -0.05566706 ], [ -0.41541799, 8.66695369, 0.06663015 ], [ -2.59257597, -3.58172427, 12.94049645 ] ]
agm003246007
[ [ -2.270239705287644, -3.382625146468964, 12.811692786186713 ], [ 2.618520257549211, 4.560359052264862, 6.534729237244769 ], [ 1.6423797101773732, -0.7322359245157354, 10.648908978034695 ], [ 1.747579539121091, 2.0905442102330243, 8.585465541532097 ], [ -0.19194482720396763, 6.091033001314321, 1.9392296054746072 ], [ -0.8136500282738496, 0.48275973471475186, 12.551184341222102 ], [ -0.7439122734775033, 3.5774358990625745, 10.450398741661173 ], [ -0.909412858771829, -0.3302657049817063, 6.247171214932914 ], [ -0.86615044772141, 2.484946597018697, 4.098494994130363 ], [ 4.588114753400608, 2.866755089274326, 0.832242926504092 ], [ 2.4153159385227614, 7.025202042781472, 0.5045039547893684 ], [ 2.018364045146382, 4.956564724963636, 9.675907993705898 ], [ 1.7323502017360588, 1.4523820544599575, 5.522403902531506 ], [ -0.2478475847171491, 5.506200835573583, 5.1710433633019015 ], [ -0.9796078011998967, 0.5891832723684114, 9.335684167310935 ], [ -1.1788952750079003, 4.099662595590805, 5.1519012579531855 ], [ 3.2789511802536975, 0.9156304758824352, 5.07130658414012 ], [ -1.4057154386932302, 6.48450887837602, 5.844291221318544 ], [ 3.874695533012625, 2.516876897533635, 2.237333143516892 ], [ 2.981582676326504, 4.877156868720978, 8.366634267708248 ], [ 3.2625447897991666, 8.337204178153259, 0.029299902750409106 ], [ 3.163983620577601, 6.221251513765596, 1.7001675979093127 ], [ 1.9853564368559011, 2.620983088167619, 6.665420290000172 ], [ 0.8752402948283213, 0.2262656166086708, 6.160076358826509 ], [ 0.9384651849237035, -0.5483787589240045, 12.482061636606643 ], [ 1.0196234349841324, 3.660874703621172, 9.61319622638521 ], [ 0.9501141639505212, 2.0864861680320628, 4.236121924790486 ], [ 0.6695897583594419, 0.563515751115841, 9.582980648892498 ], [ 1.5317117170234118, -2.3876373870077168, 9.893089618955711 ], [ 1.006825671199577, 5.342940235704743, 6.158138499952718 ], [ 0.23199023381684852, 5.962481118978035, 3.702137444611724 ], [ 0.8752597447076439, 7.523538838591541, 1.0243354963812705 ], [ 0.5537705763207569, 2.000059750654052, 0.35306148487850275 ], [ 0.24149544057487948, 4.4826769877706765, 0.9719350190555641 ], [ -0.4686692569375991, 2.4522542809789227, 12.178075026685116 ], [ -1.4659998964894594, -0.20652094926136694, 8.00912874879323 ], [ -1.6770026187089886, -0.07371417531997182, 10.698302728772804 ], [ -1.4863436659943423, 2.129204009421974, 9.219511899115433 ], [ -2.157680396308001, 4.925684298870649, 11.067493185448088 ] ]
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Fe", "Fe", "Fe", "Fe", "Fe", "Fe", "Fe", "Fe", "Fe", "Si", "Si", "Si", "Si", "Si", "Si", "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
[ 0.23076923076923078, 0.6153846153846154, 0.15384615384615385 ]
[ [ 0.9362943, -0.05877239, -0.02508404 ], [ -0.05877263, 0.8813392, 0.00077857 ], [ -0.02508419, 0.00077859, 0.8278319 ] ]
-280.376041
[ 4.32, 4.337, 4.309, 3.774, 4.316, 3.793, 3.775, 4.322, 4.321, 0.024, 0.025, 0.025, 0.028, 0.028, 0.019, 0.157, 0.141, 0.162, 0.139, 0.153, 0.159, 0.149, 0.101, 0.154, 0.108, 0.063, 0.168, 0.115, 0.179, 0.172, 0.169, 0.15, 0.146, 0.119, 0.063, 0.164, 0.135, 0.063, 0.13 ]
[ [ -0.00065983, -0.00016647, 0.00164792 ], [ -0.0026142, 0.0036251, -0.00603849 ], [ 0.00108439, 0.00165531, -0.00279628 ], [ 0.00314153, -0.00091725, 0.00294199 ], [ 0.00194946, 0.00083474, -0.00103836 ], [ 0.00354738, 0.00233622, 0.00108001 ], [ -0.00282787, 0.00288165, -0.00746998 ], [ 0.00445658, 0.00078567, 0.0036491 ], [ 0.00110024, -0.00386963, 0.00424017 ], [ -0.00093725, 0.00263502, 0.00049768 ], [ -0.00051486, 0.00025818, 0.0011503 ], [ 0.00286752, -0.00026447, -0.00116385 ], [ -0.00045223, -0.00013029, -0.00029325 ], [ 0.0003198, 0.00239736, -0.00033924 ], [ -0.00223832, 0.00019711, -0.00043489 ], [ 0.00008591, -0.00126077, -0.00125532 ], [ 0.00038314, -0.00044706, 0.0021714 ], [ -0.00012129, 0.00043817, 0.00101624 ], [ -0.00011593, 0.00188213, 0.00086311 ], [ -0.0011915, -0.00191998, -0.00159759 ], [ 0.0030408, -0.00009394, 0.00009187 ], [ 0.00090989, 0.00151262, -0.00048123 ], [ -0.0000581, 0.00113629, 0.00245687 ], [ 0.00039035, -0.0005355, -0.000171 ], [ -0.00089448, 0.00114475, 0.00012724 ], [ 0.0015836, -0.00101454, 0.00306043 ], [ -0.00308578, -0.00299393, 0.00000741 ], [ -0.0025702, -0.00035194, -0.00010149 ], [ 0.00099775, -0.00219649, -0.00068985 ], [ -0.00540747, -0.00286788, -0.00145061 ], [ -0.00164511, 0.00019752, 0.00088645 ], [ 0.00115308, -0.00158693, 0.00027154 ], [ 0.00260406, 0.00066905, -0.00019217 ], [ 0.00059959, -0.00362665, 0.00025126 ], [ 0.0003826, -0.00139055, 0.00049664 ], [ -0.00319966, 0.00284756, 0.00031714 ], [ -0.00084705, 0.00125988, -0.00046428 ], [ 0.00035139, -0.00215108, -0.00158738 ], [ -0.00156796, -0.00090896, 0.00034046 ] ]
42
-0.001198
pbe
true
e062858744d202474f262c6aad908345_1_Fe9Si6O24
[ "Fe", "Os", "Re" ]
4
A2BC
FeOsRe2
Fe1 Re2 Os1
3
[ 1, 1, 1 ]
3
[ [ 3.77258115, 0, 0 ], [ 0, 2.70787997, 0.00709664 ], [ 0, 2.68994703, 5.4145538 ] ]
agm004186625
[ [ 1.886290575, 1.3494567499999999, 1.3554126100000001 ], [ 1.886290575, 4.04837025, 4.06623783 ], [ 0, 2.7085102981483815, 0.0858240901016408 ], [ 0, 2.6982831718516183, 2.632097769898359 ] ]
[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}]
[ "Fe", "Os", "Re", "Re" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
[ [ 5.8461313, 0, 0 ], [ 0, 5.892802, -0.08900086 ], [ 0, -0.08900095, 5.8966317 ] ]
-44.332452
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, -0.00337153, -0.00013709 ], [ 0, 0.00337153, 0.00013709 ] ]
0.000159
3.047526
pbe
true
a953e3004012f03f23b6fcc8632025b0_47_Fe1Re2Os1
[ "Fe", "Os", "Se" ]
3
ABC
FeOsSe
Fe1 Os1 Se1
3
[ 1, 1, 1 ]
3
[ [ 4.05585454, 0, 0 ], [ 2.02792727, 3.51247307, 0 ], [ 2.02792727, 1.17082436, 3.31159136 ] ]
agm004297086
[ [ 6.0837818100000005, 3.5124730724999997, 2.48369352 ], [ 0, 0, 0 ], [ 4.05585454, 2.341648715, 1.65579568 ] ]
[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}]
[ "Fe", "Os", "Se" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 3.8754234, 0, 0 ], [ 0, 3.8754234, 0 ], [ 0, 0, 3.8754234 ] ]
-21.00255
[ 1.5, 0.68, 0.005 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
2.275634
4.094043
pbe
true
a90854b935f838899960f9f4794a958b_216_Fe1Os1Se1
[ "Fe", "Pd", "V" ]
10
A5B4C
Fe4Pd5V
V1 Fe4 Pd5
3
[ 1, 1, 1 ]
3
[ [ 2.7087884, 0, 0 ], [ 0, 2.7087884, 0 ], [ 0, 0, 18.98824651 ] ]
agm006121308
[ [ 0, 0, 0 ], [ 0, 0, 3.8330346589012456 ], [ 0, 0, 7.604648796346455 ], [ 0, 0, 11.383597713653547 ], [ 0, 0, 15.155211851098755 ], [ 1.3543942, 1.3543942, 1.9088692435213248 ], [ 1.3543942, 1.3543942, 5.713116771301085 ], [ 1.3543942, 1.3543942, 9.494123255 ], [ 1.3543942, 1.3543942, 13.275129738698915 ], [ 1.3543942, 1.3543942, 17.079377266478673 ] ]
[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]
[ "V", "Fe", "Fe", "Fe", "Fe", "Pd", "Pd", "Pd", "Pd", "Pd" ]
2023-11-16 06:57:59
[ 0.4, 0.5, 0.1 ]
[ [ 10.20635, 0, 0 ], [ 0, 10.20635, 0 ], [ 0, 0, 10.17193 ] ]
-69.724675
[ -0.048, 2.975, 2.955, 2.955, 2.975, 0.19, 0.35, 0.342, 0.35, 0.19 ]
[ [ 0, 0, 0 ], [ 0, 0, 0.0004847 ], [ 0, 0, 0.00053796 ], [ 0, 0, -0.00053796 ], [ 0, 0, -0.0004847 ], [ 0, 0, -0.00293604 ], [ 0, 0, 0.00243518 ], [ 0, 0, 0 ], [ 0, 0, -0.00243518 ], [ 0, 0, 0.00293604 ] ]
13.066216
8.178922
pbe
true
dca28d4649c892c282105dfe4bdc628b_123_V1Fe4Pd5
[ "Fe", "Re", "Rh" ]
4
A2BC
Fe2ReRh
Fe2 Re1 Rh1
3
[ 1, 1, 1 ]
3
[ [ 4.58977643, 0.00524492, -0.02563223 ], [ 3.81426999, 2.55292374, -0.02563223 ], [ 0.77483869, 0.23585877, 4.46984551 ] ]
agm004265978
[ [ 9.17282730682641, 2.7921834513446795, 4.390937270861325 ], [ 6.866804853682754, 2.0902365469999094, 3.333733552274226 ], [ 4.598580130650755, 1.3997951679436946, 2.2207205201661986 ], [ 2.3090004838400837, 0.7028534087117175, 1.1010612816982506 ] ]
[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}]
[ "Fe", "Fe", "Re", "Rh" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 10.001905, -0.14152311, 0.19916555 ], [ -0.14152311, 10.423756, 0.06062545 ], [ 0.19916481, 0.06062522, 10.066939 ] ]
-36.512715
[ 2.163, 2.173, -0.235, 0.155 ]
[ [ 0.00348628, 0.00106122, -0.00314881 ], [ -0.00201622, -0.00061373, 0.00671353 ], [ -0.00395373, -0.0012035, -0.00707804 ], [ 0.00248366, 0.00075602, 0.00351332 ] ]
4.233645
4.724271
pbe
true
7db0eadb0c4ddb0280f9ddad6f42f1fe_8_Fe2Re1Rh1
[ "Fe", "Rh", "Sr" ]
8
A2BC
Fe2RhSr
Sr2 Fe4 Rh2
3
[ 1, 1, 1 ]
3
[ [ 3.93693043, 0.00197374, 0 ], [ -1.97204955, 5.93965877, 0 ], [ 0, 0, 6.70415159 ] ]
agm002271932
[ [ -0.0020476698367643546, 5.267291191881998, 1.6760378975 ], [ 1.9669285498367646, 0.6743413181180029, 5.0281136925 ], [ -0.0008658286765823065, 1.8620805346122704, 1.6760378975 ], [ 1.9657467086765823, 4.07955197538773, 5.0281136925 ], [ 1.9667534455266769, 2.9454281710245604, 2.809807543816151 ], [ -0.0018725655266768589, 2.9962043389754403, 3.8943440461838494 ], [ -0.0018725655266768589, 2.9962043389754403, 6.161883338816151 ], [ 1.9667534455266769, 2.9454281710245604, 0.5422682511838497 ] ]
[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]
[ "Sr", "Sr", "Rh", "Rh", "Fe", "Fe", "Fe", "Fe" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 4.718763, 0.10636816, 0 ], [ 0.10636729, 5.8291783, 0 ], [ 0, 0, 5.3314223 ] ]
-49.858452
[ -0.021, -0.021, 0.127, 0.128, 0.921, 0.922, 0.926, 0.926 ]
[ [ 0.0010085, 0.00794037, 0 ], [ -0.0010085, -0.00794037, 0 ], [ -0.00458801, 0.00903714, 0 ], [ 0.00458801, -0.00903714, 0 ], [ 0.0021224, -0.01451586, -0.0070501 ], [ -0.0021224, 0.01451586, 0.0070501 ], [ -0.0021224, 0.01451586, -0.0070501 ], [ 0.0021224, -0.01451586, 0.0070501 ] ]
3.85652
10.446837
pbe
true
b8638ea97d841c41b161539b0224d057_63_Sr2Fe4Rh2
[ "Fe", "Si", "Zr" ]
12
A3B2C
FeSi3Zr2
Zr4 Fe2 Si6
3
[ 1, 1, 1 ]
3
[ [ 5.13365399, 0, 0 ], [ -2.56682699, 4.44587477, 0 ], [ 0, 0, 7.76803029 ] ]
agm005511688
[ [ 2.5668171674010822, 2.977378014534008, 1.9420075725 ], [ 1.2717505808403218, 0.7342568915831804, 1.9420075725 ], [ 3.8618933745176682, 0.734251334239718, 1.9420075725 ], [ 0.000009832598918175938, 1.4684967554659918, 5.8260227175 ], [ 1.2950764191596782, 3.7116178784168192, 5.8260227175 ], [ -1.295066374517668, 3.7116234357602815, 5.8260227175 ], [ 0, 0, 0 ], [ 0, 0, 3.884015145 ], [ -2.2334936739920265e-8, 2.963916528152916, 0.4900666984446156 ], [ 2.566827022334937, 1.4819582418470838, 4.374081843444615 ], [ 2.566827022334937, 1.4819582418470838, 7.277963591555384 ], [ -2.2334936739920265e-8, 2.963916528152916, 3.393948446555384 ] ]
[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Si", "Si", "Si", "Si", "Si", "Si", "Fe", "Fe", "Zr", "Zr", "Zr", "Zr" ]
2023-11-16 06:57:59
[ 0.16666666666666666, 0.5, 0.3333333333333333 ]
[ [ 2.5262434, 0, 0 ], [ 0, 2.5262434, 0 ], [ 0, 0, 2.6035082 ] ]
-91.568375
[ 0, 0, 0, 0, 0, 0, 0.014, 0.014, 0.001, 0.001, 0.001, 0.001 ]
[ [ 0, -0.00039386, 0 ], [ 0.00034109, 0.00019693, 0 ], [ -0.00034109, 0.00019693, 0 ], [ 0, 0.00039386, 0 ], [ -0.00034109, -0.00019693, 0 ], [ 0.00034109, -0.00019693, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00166443 ], [ 0, 0, 0.00166443 ], [ 0, 0, -0.00166443 ], [ 0, 0, -0.00166443 ] ]
0.030363
8.968194
pbe
true
2cf0ecbedd80306ddfe4e638c41861e5_194_Zr4Fe2Si6
[ "Fe", "W", "Y" ]
4
A2BC
FeW2Y
Y1 Fe1 W2
3
[ 1, 1, 1 ]
3
[ [ 4.84862467, 0, 0 ], [ 0, 2.84198938, -0.03125241 ], [ 0, 0.90590219, 5.04182623 ] ]
agm004207142
[ [ 2.424312335, 2.8109186775, 3.757930365 ], [ 0, 3.6334477619456185, 4.980042781666667 ], [ 0, 1.9883895930543813, 2.535817948333333 ], [ 2.424312335, 0.9369728924999999, 1.252643455 ] ]
[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
[ "Fe", "W", "W", "Y" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ 2.4373798, 0, 0 ], [ 0, 2.1679082, -0.131616 ], [ 0, -0.13161546, 2.6600647 ] ]
-38.561041
[ 2.043, -0.079, -0.079, -0.137 ]
[ [ 0, 0, 0 ], [ 0, -0.00333151, -0.00018487 ], [ 0, 0.00333151, 0.00018487 ], [ 0, 0, 0 ] ]
1.629931
4.272038
pbe
true
a309c0a929225c5f2e3b4cb27e7b5387_10_Y1Fe1W2
[ "Ga", "Gd", "Mg" ]
5
A2B2C
Ga2GdMg2
Gd1 Mg2 Ga2
3
[ 1, 1, 1 ]
3
[ [ 4.29973536, 0, 0 ], [ 0, 4.29973536, 0 ], [ -2.14986768, -2.14986768, 5.88687615 ] ]
agm002343388
[ [ 2.14986768, 0, 2.943438075 ], [ 0, 2.14986768, 2.943438075 ], [ 0, 0, 0 ], [ 2.1498676799999994, 2.1498676799999994, 1.221054791395293 ], [ 8.593517551266813e-17, 8.593517551266813e-17, 4.665821358604707 ] ]
[{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Mg", "Mg", "Gd", "Ga", "Ga" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.4 ]
[ [ 1.9438401, 0, 0 ], [ 0, 1.9438401, 0 ], [ 0, 0, 2.2873871 ] ]
-25.305139
[ -0.003, -0.003, 7.072, -0.022, -0.022 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00129695 ], [ 0, 0, -0.00129695 ] ]
7.227129
2.039348
pbe
true
77b40be4d31723efb332942ec2ed4218_139_Gd1Mg2Ga2
[ "Ga", "Gd", "Pm" ]
4
A2BC
GaGdPm2
Pm2 Gd1 Ga1
3
[ 1, 1, 1 ]
3
[ [ 3.60360844, 0, 0 ], [ 0, 3.60360844, 0 ], [ 0, 0, 9.03200426 ] ]
agm001137984
[ [ 1.80180422, 1.80180422, 4.51600213 ], [ 1.80180422, 1.80180422, 0 ], [ 0, 0, 7.139613759842457 ], [ 0, 0, 1.8923905001575432 ] ]
[{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Gd", "Ga", "Pm", "Pm" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
[ [ 1.2076023, 0, 0 ], [ 0, 1.2076023, 0 ], [ 0, 0, 1.1909208 ] ]
-27.590681
[ 7.204, 0.005, -0.002, -0.002 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.00117255 ], [ 0, 0, 0.00117255 ] ]
7.535566
5.166234
pbe
true
96f5570b8a501b0cd8b1572cf4afda51_123_Pm2Gd1Ga1
[ "Ga", "Hf", "Mn" ]
13
A6B6C
Ga6HfMn6
Hf1 Mn6 Ga6
3
[ 1, 1, 1 ]
3
[ [ 4.68337825, 0, 1.8719434 ], [ 2.29345766, 6.00401367, 1.05664066 ], [ 0.11278368, -0.01380351, 6.5124276 ] ]
agm006097637
[ [ 0, 0, 0 ], [ 1.14672883, 3.002006835, 0.52832033 ], [ 3.488417955, 3.002006835, 1.46429203 ], [ 0.05639184, -0.006901755, 3.2562138 ], [ 2.3980809649999997, -0.006901755, 4.1921855 ], [ 4.107713885933258, 4.548502763550315, 3.3121867433540246 ], [ 2.9819057040667416, 1.4417073964496856, 6.128824916645975 ], [ 3.186116008706087, 3.9386808279275423, 5.617914886982249 ], [ 3.903503581293912, 2.0515293320724575, 3.823096773017749 ], [ 0.8362233413952503, 1.9826102881954182, 4.702467609319399 ], [ 6.25339624860475, 4.007599871804582, 4.7385440506806 ], [ 1.941173351131551, 1.0535921873345087, 1.9380143800460046 ], [ 5.148446238868448, 4.936617972665491, 7.502997279953995 ] ]
[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Hf", "Mn", "Mn", "Mn", "Mn", "Mn", "Mn", "Ga", "Ga", "Ga", "Ga", "Ga", "Ga" ]
2023-11-16 06:57:59
[ 0.46153846153846156, 0.07692307692307693, 0.46153846153846156 ]
[ [ 7.080035, 0.038295, -0.04307939 ], [ 0.038295, 7.192756, -0.09581002 ], [ -0.04307939, -0.09581002, 7.1705976 ] ]
-85.509984
[ -0.269, 1.778, 1.778, 1.778, 1.778, 1.197, 1.197, -0.073, -0.073, -0.055, -0.055, -0.08, -0.08 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00008576, -0.00023667, 0.00021457 ], [ 0.00008576, 0.00023667, -0.00021457 ], [ 0.00103704, -0.00272803, -0.00259455 ], [ -0.00103704, 0.00272803, 0.00259455 ], [ 0.0000572, 0.00015784, -0.0001431 ], [ -0.0000572, -0.00015784, 0.0001431 ], [ -0.00050935, 0.0013399, 0.00127434 ], [ 0.00050935, -0.0013399, -0.00127434 ] ]
8.779727
13.081318
pbe
true
0ed18439c28ce06daaa079b10d86fc87_71_Hf1Mn6Ga6
[ "Ga", "Hg", "Pu" ]
3
ABC
GaHgPu
Ga1 Hg1 Pu1
3
[ 1, 1, 1 ]
3
[ [ 0, 3.483299, 3.483299 ], [ 3.483299, 0, 3.483299 ], [ 3.483299, 3.483299, 0 ] ]
oqmd-7004183
[ [ 1.74165, 1.74165, 1.74165 ], [ 5.22495, 5.22495, 5.22495 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}]
[ "Ga", "Hg", "Pu" ]
2024-11-01 00:00:00
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ -0.30123973, 0, 0 ], [ 0, -0.30123973, 0 ], [ 0, 0, -0.30123973 ] ]
-16.946
[ 0.098, 0.054, 5.398 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
5.92414
null
pbe
true
ead8ef355af0b050678448075b20307f_216_Pu1Ga1Hg1
[ "Ga", "Hg", "Tm" ]
18
A5B2C2
Ga2Hg2Tm5
Tm10 Ga4 Hg4
3
[ 1, 1, 1 ]
3
[ [ 7.48886272, 0, 0 ], [ 0, 7.53297205, 0 ], [ 0, -3.76648603, 7.99303237 ] ]
agm003316144
[ [ 0, 0, 0 ], [ 3.74443136, 3.766486025, 0 ], [ 6.179062352710425, 5.136195446393561, 2.0994932844699687 ], [ 1.3098003672895746, 2.396776600979785, 2.0994932844699687 ], [ 2.4346309927104257, 6.163262625979785, 2.0994932844699687 ], [ 5.054231727289575, 1.3697094213935608, 2.0994932844699687 ], [ 1.3098003672895746, -1.3697094263935605, 5.893539085530031 ], [ 6.179062352710425, 1.3697094190202148, 5.893539085530031 ], [ 5.054231727289575, -2.396776605979785, 5.893539085530031 ], [ 2.4346309927104257, 2.3967765986064387, 5.893539085530031 ], [ 4.658136716504884, 2.8555837477807384, 7.99303237 ], [ 2.830726003495117, 0.9109022722192615, 0 ], [ 0.9137053565048833, 4.677388297219261, 0 ], [ 6.575157363495117, -0.9109022772192614, 7.99303237 ], [ 0, -2.167523828914634e-9, 3.465017579229081 ], [ 3.74443136, 3.7664860228324755, 3.465017579229081 ], [ 0, 3.7664860221675243, 4.528014790770919 ], [ 3.74443136, -2.8324763757052453e-9, 4.528014790770919 ] ]
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Tm", "Tm", "Tm", "Tm", "Tm", "Tm", "Tm", "Tm", "Tm", "Tm", "Ga", "Ga", "Ga", "Ga", "Hg", "Hg", "Hg", "Hg" ]
2023-11-16 06:57:59
[ 0.2222222222222222, 0.2222222222222222, 0.5555555555555556 ]
[ [ 1.8068508, 0, 0 ], [ 0, 1.742173, 0 ], [ 0, 0, 1.798774 ] ]
-67.144991
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.0014906, -0.0009449, -0.00189386 ], [ 0.0014906, 0.0009449, -0.00189386 ], [ -0.0014906, 0.0009449, -0.00189386 ], [ 0.0014906, -0.0009449, -0.00189386 ], [ 0.0014906, 0.0009449, 0.00189386 ], [ -0.0014906, -0.0009449, 0.00189386 ], [ 0.0014906, -0.0009449, 0.00189386 ], [ -0.0014906, 0.0009449, 0.00189386 ], [ 0.00071578, -0.00244249, 0 ], [ -0.00071578, 0.00244249, 0 ], [ 0.00071578, 0.00244249, 0 ], [ -0.00071578, -0.00244249, 0 ], [ 0, 0, 0.00215034 ], [ 0, 0, 0.00215034 ], [ 0, 0, -0.00215034 ], [ 0, 0, -0.00215034 ] ]
-0.000016
8.096808
pbe
true
6c628a9b3e3168226e0f0f2f493a9ccc_64_Tm10Ga4Hg4
[ "Ga", "Hg", "V" ]
4
A2BC
Ga2HgV
V1 Ga2 Hg1
3
[ 1, 1, 1 ]
3
[ [ 0, 3.31253498, 3.31253498 ], [ 3.31253498, 0, 3.31253498 ], [ 3.31253498, 3.31253498, 0 ] ]
agm002748459
[ [ 3.31253498, 3.31253498, 3.31253498 ], [ 1.65626749, 1.65626749, 1.65626749 ], [ 4.96880247, 4.96880247, 4.96880247 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Hg", "Ga", "Ga", "V" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 6.1212525, 0, 0 ], [ 0, 6.1212525, 0 ], [ 0, 0, 6.1212525 ] ]
-14.1752
[ -0.004, -0.006, -0.006, 2.51 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
2.962978
2.657458
pbe
true
854a171df5761bf3f875c731631e5949_225_V1Ga2Hg1
[ "Ga", "Ho", "Ni" ]
28
A6B5C3
Ga6Ho3Ni5
Ho6 Ga12 Ni10
3
[ 1, 1, 1 ]
3
[ [ 4.10417318, 0, 0 ], [ 0, 8.89766487, 0 ], [ 0, 0, 12.37844856 ] ]
agm005708269
[ [ 0, 2.1966343266632093, 8.662490167987468 ], [ 2.05208659, 6.70103054333679, 2.4732658879874663 ], [ 2.05208659, 6.70103054333679, 9.905182672012534 ], [ 0, 2.3472119116277343, 0 ], [ 2.05208659, 6.550452958372266, 6.18922428 ], [ 0, 2.1966343266632093, 3.715958392012534 ], [ 0, 8.734784038936482, 10.516117287156767 ], [ 2.05208659, 0.1628808310635174, 8.051555552843235 ], [ 2.05208659, 3.6536741067495204, 10.178129071958846 ], [ 2.05208659, 5.205818090401854, 0 ], [ 0, 3.6918467795981456, 6.18922428 ], [ 0, 5.24399076325048, 8.389543768041154 ], [ 0, 5.24399076325048, 3.9889047919588467 ], [ 2.05208659, 8.574844330995743, 0 ], [ 0, 8.734784038936482, 1.8623312728432344 ], [ 2.05208659, 3.6536741067495204, 2.2003194880411536 ], [ 0, 0.3228205390042563, 6.18922428 ], [ 2.05208659, 0.1628808310635174, 4.326893007156766 ], [ 0, 4.828221568971607, 10.989144225816466 ], [ 0, 7.712072558421485, 8.14515952408667 ], [ 0, 6.965995618103548, 0 ], [ 2.05208659, 4.069443301028393, 7.5785286141835355 ], [ 2.05208659, 1.9316692518964516, 6.18922428 ], [ 0, 4.828221568971607, 1.3893043341835345 ], [ 2.05208659, 4.069443301028393, 4.799919945816466 ], [ 0, 7.712072558421485, 4.23328903591333 ], [ 2.05208659, 1.1855923115785145, 10.422513315913331 ], [ 2.05208659, 1.1855923115785145, 1.9559352440866704 ] ]
[{"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Ho", "Ho", "Ho", "Ho", "Ho", "Ho", "Ga", "Ga", "Ga", "Ga", "Ga", "Ga", "Ga", "Ga", "Ga", "Ga", "Ga", "Ga", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni" ]
2023-11-16 06:57:59
[ 0.42857142857142855, 0.21428571428571427, 0.35714285714285715 ]
[ [ -3.213186, 0, 0 ], [ 0, -2.974504, 0 ], [ 0, 0, -3.1043267 ] ]
-138.500307
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, -0.00268084, 0.00135635 ], [ 0, 0.00268084, 0.00135635 ], [ 0, 0.00268084, -0.00135635 ], [ 0, -0.00088909, 0 ], [ 0, 0.00088909, 0 ], [ 0, -0.00268084, -0.00135635 ], [ 0, 0.0006481, -0.00030026 ], [ 0, -0.0006481, 0.00030026 ], [ 0, -0.00073003, -0.00415892 ], [ 0, -0.00063521, 0 ], [ 0, 0.00063521, 0 ], [ 0, 0.00073003, 0.00415892 ], [ 0, 0.00073003, -0.00415892 ], [ 0, 0.00198729, 0 ], [ 0, 0.0006481, 0.00030026 ], [ 0, -0.00073003, 0.00415892 ], [ 0, -0.00198729, 0 ], [ 0, -0.0006481, -0.00030026 ], [ 0, 0.00950377, 0.00187571 ], [ 0, -0.00965035, 0.00023152 ], [ 0, 0.01688172, 0 ], [ 0, -0.00950377, -0.00187571 ], [ 0, -0.01688172, 0 ], [ 0, 0.00950377, -0.00187571 ], [ 0, -0.00950377, 0.00187571 ], [ 0, -0.00965035, -0.00023152 ], [ 0, 0.00965035, -0.00023152 ], [ 0, 0.00965035, 0.00023152 ] ]
0
14.940805
pbe
true
431f087415a96669cb3adbe5e0dbdc91_59_Ho6Ga12Ni10
[ "Ga", "Ho", "Sn" ]
4
A2BC
GaHo2Sn
Ho2 Ga1 Sn1
3
[ 1, 1, 1 ]
3
[ [ 4.19013936, 0, 0 ], [ 0, 4.83816575, 0 ], [ 0, 0, 4.83816575 ] ]
agm001206685
[ [ 0, 0, 2.419082875 ], [ 0, 2.419082875, 0 ], [ 2.09506968, 2.419082875, 2.419082875 ], [ 2.09506968, 0, 0 ] ]
[{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Ho", "Ho", "Ga", "Sn" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ 1.7949924, 0, 0 ], [ 0, 1.6987926, 0 ], [ 0, 0, 1.6987926 ] ]
-18.486466
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.00006
2.558454
pbe
true
5cf61cb0985aca1e38ddd51aa8b57735_123_Ho2Ga1Sn1
[ "Ga", "Ir", "La" ]
11
A8B2C
GaIr2La8
La8 Ga1 Ir2
3
[ 1, 1, 1 ]
3
[ [ 6.23229294, 0.28212254, -0.90233988 ], [ -1.84670663, 7.06436293, -3.02182912 ], [ 0.06088473, -0.14065437, 7.90085484 ] ]
agm006020466
[ [ 1.855615722395853, 5.022192810034242, -0.0649358931028651 ], [ 2.583376667296634, 2.273422655049649, 4.1021530161183435 ], [ 0.8352796573922243, 0.1507429292966128, -0.04644163411435721 ], [ 3.067762293775119, 2.5515380874450577, -0.9524221867071928 ], [ 3.5681770154407664, 0.6614599489197931, 1.9129041972858851 ], [ 0.578673800549909, 2.7360072563324884, 1.7037117440795744 ], [ 5.749843158713828, 1.6957728040354534, 4.4489976816097165 ], [ 4.716817827154465, 5.597533705921404, -1.4660056340360093 ], [ 3.789775558070861, 4.711637711666647, 2.4461097938360745 ], [ 0.567217808010296, 6.559134481681246, 2.036338306371669 ], [ 1.0894412777341933, 4.5866841903218285, 5.026539476232682 ] ]
[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Ir", "Ir", "Ga", "La", "La", "La", "La", "La", "La", "La", "La" ]
2023-11-16 06:57:59
[ 0.09090909090909091, 0.18181818181818182, 0.7272727272727273 ]
[ [ 0.76705754, 0.08806526, 0.0161656 ], [ 0.0880651, 0.5383995, -0.00785786 ], [ 0.01616549, -0.00785789, 0.51898926 ] ]
-63.995143
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ -0.00147123, -0.00099311, -0.00154686 ], [ -0.00119747, -0.00202712, 0.00002068 ], [ 0.00283781, 0.00231853, 0.00103378 ], [ -0.00083126, 0.00237476, -0.00223432 ], [ 0.00010915, -0.0011772, 0.00315039 ], [ 0.00025801, -0.00229361, -0.00155801 ], [ -0.00121913, -0.00011911, 0.00205754 ], [ -0.00167747, 0.00161205, -0.00056687 ], [ -0.00051928, -0.00018691, -0.0000326 ], [ 0.00117659, 0.00280986, -0.00404885 ], [ 0.00253427, -0.00231814, 0.00372512 ] ]
-0.000166
14.398006
pbe
true
31bd4ca0cbc7cf97c0981758c3f4aac7_8_La8Ga1Ir2
[ "Ga", "Ir", "Ti" ]
6
A3B2C
Ga3IrTi2
Ti2 Ga3 Ir1
3
[ 1, 1, 1 ]
3
[ [ 4.41459069, 0, 0 ], [ 0, 5.28067121, 0 ], [ -2.20729535, -2.6403356, 4.32315099 ] ]
agm003431062
[ [ 2.2072975505742645, -0.0000026386145246211223, 1.4880979140998798 ], [ -0.0000022105742648490488, 2.6403382486145253, 2.8350530759001207 ], [ -3.4339524375558676e-9, 3.433952679741773e-9, 2.969098943534575 ], [ 0, 0, 0 ], [ 2.207295343433952, 2.640335606566048, 1.3540520464654249 ], [ 0, 2.640335605, 0 ] ]
[{"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Ti", "Ti", "Ga", "Ga", "Ga", "Ir" ]
2023-11-16 06:57:59
[ 0.5, 0.16666666666666666, 0.3333333333333333 ]
[ [ 3.5758882, 0, 0 ], [ 0, 3.4839065, 0 ], [ 0, 0, 3.4288893 ] ]
-34.458413
[ 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0.0047025 ], [ 0, 0, -0.0047025 ], [ 0, 0, 0.00187499 ], [ 0, 0, 0 ], [ 0, 0, -0.00187499 ], [ 0, 0, 0 ] ]
0.000001
5.247873
pbe
true
534da169c4493ae50fb78f30aa3c421b_71_Ti2Ga3Ir1
[ "Ga", "La", "Na" ]
5
A3BC
GaLa3Na
Na1 La3 Ga1
3
[ 1, 1, 1 ]
3
[ [ 5.89604347, 0, 0 ], [ 0, 5.89604347, 0 ], [ 0, 0, 5.89604347 ] ]
agm002549884
[ [ 2.948021735, 2.948021735, 2.948021735 ], [ 0, 0, 0 ], [ 0, 2.948021735, 0 ], [ 0, 0, 2.948021735 ], [ 2.948021735, 0, 0 ] ]
[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Na", "Ga", "La", "La", "La" ]
2023-11-16 06:57:59
[ 0.2, 0.6, 0.2 ]
[ [ 1.1504331, 0, 0 ], [ 0, 1.1504331, 0 ], [ 0, 0, 1.1504331 ] ]
-18.608388
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.001976
10.175097
pbe
true
2d4930bfde354bf70d41b9b898a55850_221_Na1La3Ga1
[ "Ga", "Li", "Pm" ]
5
A2B2C
GaLi2Pm2
Li2 Pm2 Ga1
3
[ 1, 1, 1 ]
3
[ [ 3.58504386, 0, 0 ], [ 0, 3.58504386, 0 ], [ -1.79252193, -1.79252193, 9.7948167 ] ]
agm003406358
[ [ 1.7925219300000002, 0, 4.89740835 ], [ 0, 1.7925219300000002, 4.89740835 ], [ 1.0095212740023385e-16, -3.585043851680504e-8, 7.926023463058531 ], [ 1.7925219299999997, 1.7925219658504388, 1.86879323694147 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Li", "Li", "Pm", "Pm", "Ga" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.4 ]
[ [ 0.63291466, 0, 0 ], [ 0, 0.63291466, 0 ], [ 0, 0, 0.70038486 ] ]
-16.822155
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.000092 ], [ 0, 0, -0.000092 ], [ 0, 0, 0 ] ]
0.001473
5.061283
pbe
true
274cd79bd5a578d4498c1d52188ec385_139_Li2Pm2Ga1
[ "Ga", "Li", "Si" ]
7
A4B2C
Ga4LiSi2
Li1 Ga4 Si2
3
[ 1, 1, 1 ]
3
[ [ 4.80524121, 0, 0 ], [ 0, 4.80524121, 0 ], [ 2.4026206, 2.4026206, 6.27620825 ] ]
agm001073542
[ [ 4.805241181983047, 4.805241181983047, 5.009352288347127 ], [ 2.4026206280169533, 2.4026206280169533, 1.2668559616528725 ], [ 4.805241208043558, 4.805241208043558, 2.455808362878455 ], [ 2.4026206019564427, 2.4026206019564427, 3.8203998871215448 ], [ 0, 2.402620605, 0 ], [ 2.402620605, 0, 0 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Si", "Si", "Ga", "Ga", "Ga", "Ga", "Li" ]
2023-11-16 06:57:59
[ 0.5714285714285714, 0.14285714285714285, 0.2857142857142857 ]
[ [ 1.7859201, 0, 0 ], [ 0, 1.7859201, 0 ], [ 0, 0, 1.9769967 ] ]
-22.015494
[ 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, -0.0033501 ], [ 0, 0, 0.0033501 ], [ 0, 0, -0.00060458 ], [ 0, 0, 0.00060458 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
3.031226
pbe
true
38861e990544ea141685c415f93b756e_139_Li1Ga4Si2
[ "Ga", "Li", "Zr" ]
6
ABC
GaLiZr
Li2 Zr2 Ga2
3
[ 1, 1, 1 ]
3
[ [ 5.57414289, 0, 0 ], [ 0, 4.91870767, 0 ], [ 2.78707144, 2.45935384, 3.80628213 ] ]
agm003091855
[ [ 4.180607165, 3.689030755, 1.903141065 ], [ 1.39353572, 3.689030755, 1.903141065 ], [ 5.574142888793474, 1.2296769187065266, 0.9184762796412168 ], [ 2.787071441206527, 6.148384591293473, 2.887805850358783 ], [ 2.787071445, 2.459353835, 0 ], [ 2.787071445, 0, 0 ] ]
[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Ga", "Ga", "Zr", "Zr", "Li", "Li" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 1.4270302, 0, 0 ], [ 0, -1.1384279, 0 ], [ 0, 0, 0.5076065 ] ]
-28.675829
[ -0.035, -0.032, 0.481, 0.481, 0.002, 0.001 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.0349639 ], [ 0, 0, -0.0349639 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
1.370009
3.266909
pbe
true
4fc0e0b7216b31b1a523cacc8b9db8ec_74_Li2Zr2Ga2
[ "Ga", "Mg", "Sr" ]
16
A5B2C
Ga2MgSr5
Sr10 Mg2 Ga4
3
[ 1, 1, 1 ]
3
[ [ 7.7357415, -2e-8, -3.65167719 ], [ -1.72378421, 7.54123765, -3.65167713 ], [ 0.15979755, 0.20044657, 10.35808396 ] ]
agm005926948
[ [ 3.0554528940557524, 5.34903579065533, 3.0286613191923424 ], [ 4.6440499677682565, 7.3417288937978995, -3.6256088298162026 ], [ 0, 0, 0 ], [ 3.005978645, 3.770618815, -3.65167716 ], [ 1.5277047124341925, 0.3999551057555304, 6.680328111732242 ], [ 5.1262014277217025, 1.5784167620833802, 4.283845583304273 ], [ -0.5430439810293072, 4.1705739338809105, 5.4251334895363525 ], [ 1.0455534122782968, 6.16326743791662, -1.2291159433042722 ], [ 6.714798821029308, 3.5711102661190894, -2.370403849536352 ], [ 3.116302105741797, 2.3926486097912396, 0.026078678891618006 ], [ 4.5888667425, 5.7561515075, -0.29847375999999937 ], [ 1.5828880975, 1.9855326925, 3.3532034 ], [ 0.15461046010249388, 2.9602518287457498, -1.8258385714474854 ], [ 4.513904197544976, 0.8103669819559268, -2.610643100820449 ], [ 1.6578506424550234, 6.931317218044073, 5.665372740820449 ], [ 6.017144379897506, 4.781432371254249, 4.8805682114474855 ] ]
[{"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Sr", "Sr", "Sr", "Sr", "Sr", "Sr", "Sr", "Sr", "Sr", "Sr", "Mg", "Mg", "Ga", "Ga", "Ga", "Ga" ]
2023-11-16 06:57:59
[ 0.25, 0.125, 0.625 ]
[ [ 0.606332, 0.01447522, 0.02444606 ], [ 0.01447522, 0.61294955, 0.03066453 ], [ 0.02444606, 0.03066453, 0.64657897 ] ]
-35.747168
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0.00199005, 0.00135783, 0.00304022 ], [ -0.00088024, -0.00224258, -0.00304022 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00088024, 0.00224258, 0.00304022 ], [ 0.00108247, 0.00135783, 0.00346864 ], [ 0.00178781, 0.00224258, 0.00261179 ], [ -0.00108247, -0.00135783, -0.00346864 ], [ -0.00178781, -0.00224258, -0.00261179 ], [ -0.00199005, -0.00135783, -0.00304022 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00514284, -0.00409993, 0 ], [ 0.00326851, 0.00409993, -0.0039706 ], [ -0.00326851, -0.00409993, 0.0039706 ], [ -0.00514284, 0.00409993, 0 ] ]
0.000004
17.3106
pbe
true
00bd8739f4d567764233fdde61e6d2ef_140_Sr10Mg2Ga4
[ "Ga", "Mn", "Nb" ]
4
A2BC
GaMnNb2
Mn1 Nb2 Ga1
3
[ 1, 1, 1 ]
3
[ [ 4.21221256, 0, 0 ], [ 0, 3.9056553, 0 ], [ 0, 0, 3.9056553 ] ]
agm001215373
[ [ 0, 0, 1.95282765 ], [ 0, 1.95282765, 0 ], [ 2.10610628, 1.95282765, 1.95282765 ], [ 2.10610628, 0, 0 ] ]
[{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Nb", "Nb", "Mn", "Ga" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
[ [ 3.2327135, 0, 0 ], [ 0, 3.1269813, 0 ], [ 0, 0, 3.1269813 ] ]
-32.779947
[ -0.262, -0.262, 2.656, -0.036 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
2.131514
4.380435
pbe
true
c85008df11c7b4ed196aaeb5b337a322_123_Mn1Nb2Ga1
[ "Ga", "Mn", "Pu" ]
7
A4B2C
Ga4Mn2Pu
Pu1 Mn2 Ga4
3
[ 1, 1, 1 ]
3
[ [ 5.15491118, 0.0002186, 0.00021871 ], [ 2.57681145, 4.73323741, 0.00424202 ], [ 2.57681145, 0.00192701, 4.73323891 ] ]
agm002289464
[ [ 6.443855929956213, 2.367298933528415, 2.3684570522396426 ], [ 3.8646781500437877, 2.3680840864715855, 2.369242587760357 ], [ 5.154902781425304, 1.8861434645034645, 4.734480077053106 ], [ 5.153631298574696, 2.8492395554965353, 0.0032195629468942 ], [ 5.153631298574696, 0.0018260075476554999, 2.8492407863259643 ], [ 5.154902781425304, 4.733557012452344, 1.8884588536740352 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Mn", "Mn", "Ga", "Ga", "Ga", "Ga", "Pu" ]
2023-11-16 06:57:59
[ 0.5714285714285714, 0.2857142857142857, 0.14285714285714285 ]
[ [ 2.6891646, -0.19443879, -0.19453391 ], [ -0.1944388, 2.4150813, -0.1320636 ], [ -0.19453393, -0.1320636, 2.414952 ] ]
-45.741102
[ 2.653, 2.653, -0.045, -0.045, -0.059, -0.059, 5.161 ]
[ [ -0.00077494, 0.00317979, 0.00318135 ], [ 0.00077494, -0.00317979, -0.00318135 ], [ -0.00223779, 0.00429645, 0.00204352 ], [ 0.00223779, -0.00429645, -0.00204352 ], [ 0.00223779, -0.00204142, -0.00429745 ], [ -0.00223779, 0.00204142, 0.00429745 ], [ 0, 0, 0 ] ]
10.497395
15.242222
pbe
true
1531a251e75e775489fd5c8bfd3c84e4_139_Pu1Mn2Ga4
[ "Ga", "Mn", "Zr" ]
6
ABC
GaMnZr
Zr2 Mn2 Ga2
3
[ 1, 1, 1 ]
3
[ [ 4.50193525, 0, 2.52773294 ], [ 1.61249082, 4.25422788, 2.40100517 ], [ 0.07260661, 0.04347847, 5.14356385 ] ]
agm005696942
[ [ 4.596263241642304, 1.573255260801483, 4.996172234898366 ], [ 1.5907694383576956, 2.724451089198517, 5.076129725101634 ], [ 0, 0, 0 ], [ 2.250967625, 0, 1.26386647 ], [ 3.057213035, 2.12711394, 2.4643690549999997 ], [ 2.28727093, 0.021739235, 3.8356483949999998 ] ]
[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Zr", "Zr", "Mn", "Mn", "Ga", "Ga" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 4.9698434, 0.03905656, -0.07294187 ], [ 0.03905656, 5.1469603, -0.06955939 ], [ -0.07294187, -0.06955939, 5.058798 ] ]
-43.654764
[ -0.389, -0.389, 2.231, 2.231, -0.046, -0.046 ]
[ [ 0.00154593, -0.00235866, -0.00275334 ], [ -0.00154593, 0.00235866, 0.00275334 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
3.37382
5.949181
pbe
true
f97bc84fd6308918bed946f767cfda50_74_Zr2Mn2Ga2
[ "Ga", "N", "Pm" ]
7
A4B2C
Ga2NPm4
Pm4 Ga2 N1
3
[ 1, 1, 1 ]
3
[ [ 3.70183208, 0, 0 ], [ 0, 6.16201586, 0.51518636 ], [ -1.85091604, -2.39496883, 7.32757435 ] ]
agm003448396
[ [ 1.85091418908396, -0.8026421372145744, 5.438125356714154 ], [ 0.0000018509160400521227, 4.569689167214575, 2.4046353532858458 ], [ 1.8509160214908396, 1.326410103249913, 1.1635455668022552 ], [ 1.8509160391378944e-8, 2.4406369267500874, 6.679215143197745 ], [ 1.85091418908396, 2.794150438192058, 4.1262757292654895 ], [ 0.0000018509160399790676, 0.9728965918079426, 3.71648498073451 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Pm", "Pm", "Pm", "Pm", "Ga", "Ga", "N" ]
2023-11-16 06:57:59
[ 0.2857142857142857, 0.14285714285714285, 0.5714285714285714 ]
[ [ 0.1647444, 0, 0 ], [ 0, -0.01594684, -0.12408673 ], [ 0, -0.12408666, -0.14242703 ] ]
-38.192925
[ 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0.00159847, -0.00008529 ], [ 0, -0.00159847, 0.00008529 ], [ 0, 0.00099375, -0.00241236 ], [ 0, -0.00099375, 0.00241236 ], [ 0, 0.00206967, -0.00226031 ], [ 0, -0.00206967, 0.00226031 ], [ 0, 0, 0 ] ]
0.000205
5.484377
pbe
true
20815b0b7714f99479374f2f31244b29_12_Pm4Ga2N1
[ "Ga", "Nd", "Te" ]
16
A4B3C
GaNd3Te4
Nd6 Ga2 Te8
3
[ 1, 1, 1 ]
3
[ [ 6.30671679, 0, 0 ], [ 0, 9.53186597, 0 ], [ 0, 0, 10.47640638 ] ]
agm003557311
[ [ 3.562672765671499, 7.822971306243988, 0 ], [ 0.41051712463051954, 6.329825186192644, 2.58291084916029 ], [ 3.5638755196305194, 3.2020407838073566, 2.6552923408397104 ], [ 0.4093143706714986, 1.7088946637560116, 5.23820319 ], [ 3.5638755196305194, 3.2020407838073566, 7.82111403916029 ], [ 0.41051712463051954, 6.329825186192644, 7.893495530839711 ], [ 0.3862241560927827, 1.550133333939587, 0 ], [ 3.5395825510927827, 7.981732636060413, 5.23820319 ], [ 0.4102828931689389, 8.027316020820807, 0 ], [ 3.554091405336849, 1.4762262954053176, 0 ], [ 0.4110239954589318, 3.214082390087258, 2.509530432132537 ], [ 3.564382390458932, 6.317783579912742, 2.7286727578674634 ], [ 0.40073301033684927, 8.055639674594683, 5.23820319 ], [ 3.563641288168939, 1.5045499491791934, 5.23820319 ], [ 3.564382390458932, 6.317783579912742, 7.747733622132537 ], [ 0.4110239954589318, 3.214082390087258, 7.966875947867464 ] ]
[{"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Ga", "Ga", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te" ]
2023-11-16 06:57:59
[ 0.125, 0.375, 0.5 ]
[ [ 0.46472108, 0, 0 ], [ 0, 0.34632516, 0 ], [ 0, 0, 0.42964992 ] ]
-75.99968
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0.00032655, 0.00239034, 0 ], [ -0.00215323, -0.00204533, -0.00329764 ], [ -0.00215323, 0.00204533, 0.00329764 ], [ 0.00032655, -0.00239034, 0 ], [ -0.00215323, 0.00204533, -0.00329764 ], [ -0.00215323, -0.00204533, 0.00329764 ], [ 0.00466828, -0.00768562, 0 ], [ 0.00466828, 0.00768562, 0 ], [ 0.00084663, 0.00401941, 0 ], [ 0.00235211, -0.00039508, 0 ], [ -0.00194355, 0.00065683, -0.00151338 ], [ -0.00194355, -0.00065683, 0.00151338 ], [ 0.00235211, 0.00039508, 0 ], [ 0.00084663, -0.00401941, 0 ], [ -0.00194355, -0.00065683, -0.00151338 ], [ -0.00194355, 0.00065683, 0.00151338 ] ]
0
7.625194
pbe
true
c054b5bfc375801e23666b21714267a3_31_Nd6Ga2Te8
[ "Ga", "Ni", "Si" ]
8
A6BC
GaNi6Si
Ga1 Si1 Ni6
3
[ 1, 1, 1 ]
3
[ [ 3.54663763, 0, 0 ], [ 0, 3.54663763, 0 ], [ 0, 0, 7.07541633 ] ]
agm003264146
[ [ 0, 0, 0 ], [ 0, 0, 3.537708165 ], [ 1.773318815, 1.773318815, 0 ], [ 1.773318815, 1.773318815, 3.537708165 ], [ 1.773318815, 0, 1.834037558260901 ], [ 1.773318815, 0, 5.2413787717390985 ], [ 0, 1.773318815, 1.834037558260901 ], [ 0, 1.773318815, 5.2413787717390985 ] ]
[{"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"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Ga", "Si", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni" ]
2023-11-16 06:57:59
[ 0.125, 0.75, 0.125 ]
[ [ -11.432865, 0, 0 ], [ 0, -11.432865, 0 ], [ 0, 0, -10.7216215 ] ]
-46.125109
[ -0.012, -0.008, 0.116, 0.143, 0.124, 0.124, 0.124, 0.124 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.02936424 ], [ 0, 0, 0.02936424 ], [ 0, 0, -0.02936424 ], [ 0, 0, 0.02936424 ] ]
0.672388
8.715979
pbe
true
380b1c75a66502a0d0b339633a6c0d55_123_Ga1Si1Ni6
[ "Ga", "Pb", "Sc" ]
4
A2BC
GaPbSc2
Sc2 Ga1 Pb1
3
[ 1, 1, 1 ]
3
[ [ 0, 3.53859484, 3.53859484 ], [ 3.53859484, 0, 3.53859484 ], [ 3.53859484, 3.53859484, 0 ] ]
agm002732727
[ [ 3.53859484, 3.53859484, 3.53859484 ], [ 1.76929742, 1.76929742, 1.76929742 ], [ 5.30789226, 5.30789226, 5.30789226 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Pb", "Sc", "Sc", "Ga" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
[ [ 4.384734, 0, 0 ], [ 0, 4.384734, 0 ], [ 0, 0, 4.384734 ] ]
-20.81364
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
4.090772
pbe
true
c12a60c53d18bf2d209edbe4381e6e57_225_Sc2Ga1Pb1
[ "Ga", "Pd", "Th" ]
14
A7B4C3
Ga4Pd7Th3
Th3 Ga4 Pd7
3
[ 1, 1, 1 ]
3
[ [ 4.18588291, 0, 1.05599021 ], [ 1.48594289, 7.87130903, 2.93410094 ], [ 0.13303955, 0.35942361, 8.2969306 ] ]
agm005700566
[ [ 1.6590143397191228, 1.4790726637173863, 2.248056464892483 ], [ 4.145851010280877, 6.751659976282614, 10.038965285107517 ], [ 0.80949122, 4.11536632, 5.61551577 ], [ 3.5327707610867636, 3.689269415531576, 3.6448791890760224 ], [ 2.272090403030326, 4.541463224468424, 8.642141504933766 ], [ 5.050150619232664, 7.147652815663133, 6.4543837758799265 ], [ 0.7547147307673374, 1.0830798243368662, 5.832637974120074 ], [ 2.5827662154206488, 6.787275663725908, 7.41064963562021 ], [ 2.552729126015353, 2.077248031415773, 7.529706460362673 ], [ 4.29570145234179, 3.2033417362492855, 9.444967273683456 ], [ 3.2220991345793517, 1.443456976274092, 4.876372114379789 ], [ 1.509163897658211, 5.027390903750714, 2.8420544763165427 ], [ 0, 0, 0 ], [ 3.2521362239846474, 6.153484608584228, 4.757315289637327 ] ]
[{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Th", "Th", "Th", "Ga", "Ga", "Ga", "Ga", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd" ]
2023-11-16 06:57:59
[ 0.2857142857142857, 0.5, 0.21428571428571427 ]
[ [ 5.4906864, -0.04054009, 0.02962388 ], [ -0.04054019, 5.231009, 0.16069847 ], [ 0.02962388, 0.1606981, 5.380732 ] ]
-82.06099
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0.00002717, -0.00031596, -0.00010768 ], [ -0.00002717, 0.00031596, 0.00010768 ], [ 0, 0, 0 ], [ 0.00033064, 0.00412489, -0.00131063 ], [ -0.00033064, -0.00412489, 0.00131063 ], [ -0.00082024, 0.00094571, 0.0032514 ], [ 0.00082024, -0.00094571, -0.0032514 ], [ 0.00078606, -0.00233006, -0.00311589 ], [ 0.00013133, -0.00256263, -0.00052059 ], [ -0.00013252, -0.00430645, 0.00052528 ], [ -0.00078606, 0.00233006, 0.00311589 ], [ 0.00013252, 0.00430645, -0.00052528 ], [ 0, 0, 0 ], [ -0.00013133, 0.00256263, 0.00052059 ] ]
-0.000001
8.724266
pbe
true
35282736e7038ca27bf745b581b4d3ea_12_Th3Ga4Pd7
[ "Ga", "Pm", "Pt" ]
10
A2B2C
Ga2PmPt2
Pm2 Ga4 Pt4
3
[ 1, 1, 1 ]
3
[ [ 4.1885142, 0, 0 ], [ 0, 4.1885142, 0 ], [ 0, 0, 10.91524447 ] ]
agm003387543
[ [ 2.0942571, 0, 2.7595521571106394 ], [ 0, 2.0942571, 8.15569231288936 ], [ 2.0942571, 2.0942571, 5.457622235 ], [ 0, 0, 5.457622235 ], [ 0, 2.0942571, 1.4645660250556138 ], [ 2.0942571, 0, 9.450678444944385 ], [ 0, 2.0942571, 3.9642778404418966 ], [ 2.0942571, 0, 6.950966629558104 ], [ 2.0942571, 2.0942571, 0 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Pm", "Pm", "Ga", "Ga", "Ga", "Ga", "Pt", "Pt", "Pt", "Pt" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.4 ]
[ [ 3.8628278, 0, 0 ], [ 0, 3.8628278, 0 ], [ 0, 0, 4.007905 ] ]
-55.46946
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0.00338757 ], [ 0, 0, -0.00338757 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.00412707 ], [ 0, 0, 0.00412707 ], [ 0, 0, 0.00192837 ], [ 0, 0, -0.00192837 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000007
6.001852
pbe
true
07defaaf53fbdfce68e88d7a22dcf65b_129_Pm2Ga4Pt4
[ "Ga", "Pt", "Re" ]
8
A2BC
GaPt2Re
Ga2 Re2 Pt4
3
[ 1, 1, 1 ]
3
[ [ 3.84770546, 0, 0 ], [ 0, 3.84770546, 0 ], [ 1.92385273, 1.92385273, 8.99969662 ] ]
agm002832189
[ [ 0, 0, 0 ], [ 3.84770546, 1.92385273, 4.49984831 ], [ 1.92385273, 1.92385273, 0 ], [ 1.92385273, 3.84770546, 4.49984831 ], [ 2.8846402126608943, 0.961926365, 2.249924155 ], [ 0.9630652473391053, 2.8857790949999997, 2.249924155 ], [ 2.8857790949999997, 2.8869179773391056, 6.7497724649999995 ], [ 4.809631824999999, 4.808492942660894, 6.7497724649999995 ] ]
[{"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Re", "Re", "Ga", "Ga", "Pt", "Pt", "Pt", "Pt" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ 4.523094, 0, 0 ], [ 0, 4.523094, 0 ], [ 0, 0, 5.8335676 ] ]
-52.847523
[ 0.419, 0.407, -0.012, -0.012, -0.004, -0.001, 0.01, 0.01 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.0018042, 0, 0 ], [ 0.0018042, 0, 0 ], [ 0, 0.0018042, 0 ], [ 0, -0.0018042, 0 ] ]
0.897091
6.544298
pbe
true
6d4495681231c0665052bee641995d8c_122_Ga2Re2Pt4
[ "Ga", "Pt", "Sm" ]
12
A5B5C2
Ga5Pt5Sm2
Sm2 Ga5 Pt5
3
[ 1, 1, 1 ]
3
[ [ 4.26356716, 0, 0 ], [ 0, 5.3998385, 0 ], [ 0, 0, 9.58259805 ] ]
agm003372955
[ [ 0, 2.69991925, 0 ], [ 0, 0, 4.791299025 ], [ 2.13178358, 2.69991925, 4.791299025 ], [ 2.13178358, 4.00790355441056, 2.2140152953274503 ], [ 2.13178358, 1.3919349455894403, 7.368582754672549 ], [ 2.13178358, 1.3919349455894403, 2.2140152953274503 ], [ 2.13178358, 4.00790355441056, 7.368582754672549 ], [ 0, 2.69991925, 3.2602244727082916 ], [ 0, 0, 7.757952173760257 ], [ 0, 0, 1.8246458762397417 ], [ 0, 2.69991925, 6.322373577291708 ], [ 2.13178358, 0, 0 ] ]
[{"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Sm", "Sm", "Ga", "Ga", "Ga", "Ga", "Ga", "Pt", "Pt", "Pt", "Pt", "Pt" ]
2023-11-16 06:57:59
[ 0.4166666666666667, 0.4166666666666667, 0.16666666666666666 ]
[ [ 4.5911717, 0, 0 ], [ 0, 4.1643124, 0 ], [ 0, 0, 4.2336664 ] ]
-64.815224
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.00056266, 0.00342884 ], [ 0, -0.00056266, -0.00342884 ], [ 0, -0.00056266, 0.00342884 ], [ 0, 0.00056266, -0.00342884 ], [ 0, 0, 0.00080227 ], [ 0, 0, -0.00305851 ], [ 0, 0, 0.00305851 ], [ 0, 0, -0.00080227 ], [ 0, 0, 0 ] ]
0.000006
5.537645
pbe
true
4736f206428230886c768357108628c6_47_Sm2Ga5Pt5
[ "Ga", "Pt", "Th" ]
6
A3B2C
Ga3Pt2Th
Th1 Ga3 Pt2
3
[ 1, 1, 1 ]
3
[ [ 4.3238347, 0, 0 ], [ 0, 5.4452284, 0 ], [ 0, 2.72261419, 4.71570613 ] ]
agm002275166
[ [ 2.16191735, 4.083921295, 2.357853065 ], [ 2.16191735, 1.361307095, 2.357853065 ], [ 2.16191735, 2.7226142, 0 ], [ 0, 5.445228420559475, 3.1438041023856873 ], [ 0, 2.722614169440525, 1.5719020276143127 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Ga", "Ga", "Ga", "Pt", "Pt", "Th" ]
2023-11-16 06:57:59
[ 0.5, 0.3333333333333333, 0.16666666666666666 ]
[ [ 5.146572, 0, 0 ], [ 0, 3.3839605, -1e-8 ], [ 0, -1e-8, 3.3839605 ] ]
-33.445339
[ 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
2.300657
pbe
true
1e6b793dbf9a5b95ec15c00a3b27669d_191_Th1Ga3Pt2
[ "Ga", "Rb", "Se" ]
7
A4B2C
GaRb2Se4
Rb2 Ga1 Se4
3
[ 1, 1, 1 ]
3
[ [ 5.28395546, 0, 0 ], [ 0, 5.28395546, 0 ], [ 2.64197773, 2.64197773, 8.47795492 ] ]
agm001077063
[ [ 0, 0, 0 ], [ 2.64197773, 2.64197773, 6.065015684290269 ], [ 5.28395546, 5.28395546, 2.412939235709731 ], [ 0, 2.64197773, 0 ], [ 2.64197773, 0, 0 ], [ 2.6419777035802223, 2.6419777035802223, 2.4626810080368062 ], [ 5.283955486419777, 5.283955486419777, 6.015273911963194 ] ]
[{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Ga", "Se", "Se", "Se", "Se", "Rb", "Rb" ]
2023-11-16 06:57:59
[ 0.14285714285714285, 0.2857142857142857, 0.5714285714285714 ]
[ [ 0.4750392, 0, 0 ], [ 0, 0.4750392, 0 ], [ 0, 0, 0.5928274 ] ]
-21.963936
[ 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, -0.00067175 ], [ 0, 0, 0.00067175 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00163148 ], [ 0, 0, -0.00163148 ] ]
-0
10.27853
pbe
true
28a2c6a1f4fd7e2ab8af6bfc3c248132_139_Rb2Ga1Se4
[ "Ga", "Rb", "Zr" ]
3
ABC
GaRbZr
Rb1 Zr1 Ga1
3
[ 1, 1, 1 ]
3
[ [ 3.99725139, -2.30781417, 0 ], [ 0, 4.61562834, 0 ], [ 0, 0, 6.23703253 ] ]
agm003066109
[ [ 0, 0, 0 ], [ 2.6648342733241717, -2.307814175062397e-8, 3.118516265 ], [ 1.3324171166758287, 2.307814193078142, 0 ] ]
[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Ga", "Rb", "Zr" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 0.30241188, 0, 0 ], [ 0, 0.30241188, 0 ], [ 0, 0, 1.7590433 ] ]
-10.692536
[ 0.03, 0.02, 0.477 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
1.031933
3.547104
pbe
true
e9500de7c3a15a3c451b0f399a1e19e4_187_Rb1Zr1Ga1
[ "Ga", "Rh", "Ti" ]
6
ABC
GaRhTi
Ti2 Ga2 Rh2
3
[ 1, 1, 1 ]
3
[ [ 6.91251618, -3.90615625, 0 ], [ -5.06878299, 6.11133173, 0 ], [ 0, 0, 4.06696314 ] ]
agm001002202
[ [ 0.3889113301822757, 1.5481882448732347, 3.0502223550000003 ], [ 1.4548218598177243, 0.6569872351267654, 1.016740785 ], [ -1.5448237486019527, 3.164971836816992, 3.0502223550000003 ], [ 3.388556938601952, -0.9597963568169923, 1.016740785 ], [ 5.381877773857401, -2.626399220507526, 1.016740785 ], [ -3.5381445838574006, 4.831574700507526, 3.0502223550000003 ] ]
[{"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Ga", "Ga", "Rh", "Rh", "Ti", "Ti" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 7.170228, 0.03741245, 0 ], [ 0.03741245, 7.183695, 0 ], [ 0, 0, 7.3936033 ] ]
-39.707199
[ 0, 0, 0, 0, 0, 0 ]
[ [ -0.00746127, 0.00623832, 0 ], [ 0.00746127, -0.00623832, 0 ], [ -0.00463908, 0.00387871, 0 ], [ 0.00463908, -0.00387871, 0 ], [ -0.00799287, 0.00668279, 0 ], [ 0.00799287, -0.00668279, 0 ] ]
-0.000086
4.168688
pbe
true
84ef48643b099702cee204fc76d48ad8_63_Ti2Ga2Rh2
[ "Ga", "Rh", "U" ]
10
A3BC
GaRh3U
U2 Ga2 Rh6
3
[ 1, 1, 1 ]
3
[ [ 3.74144784, -0.5399238, 0 ], [ -0.98771865, 6.49779971, 0 ], [ 0, 0, 7.29246455 ] ]
agm003713220
[ [ 0, 0, 0 ], [ 0, 0, 3.646232275 ], [ 0.3823060911309402, 2.705474235694377, 1.8231161375 ], [ 2.37142309886906, 3.2524016743056228, 5.4693484125000005 ], [ 2.125945095878771, 1.5496126241669175, 3.3442136159427767 ], [ 0.6277840941212293, 4.408263285833082, 3.948250934057223 ], [ 0.6277840941212293, 4.408263285833082, 6.990445890942777 ], [ 2.125945095878771, 1.5496126241669175, 0.3020186590572235 ], [ 2.50561258817005, 4.186837208796182, 1.8231161375 ], [ 0.24811660182994946, 1.7710387012038182, 5.4693484125000005 ] ]
[{"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "U", "U", "Ga", "Ga", "Rh", "Rh", "Rh", "Rh", "Rh", "Rh" ]
2023-11-16 06:57:59
[ 0.2, 0.6, 0.2 ]
[ [ 9.878223, -0.00899986, 0 ], [ -0.00900005, 10.092974, 0 ], [ 0, 0, 10.099179 ] ]
-78.226045
[ 0.54, 0.54, 0.002, 0.002, -0.049, -0.049, -0.049, -0.049, -0.053, -0.053 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00035736, 0.00418141, 0 ], [ 0.00035736, -0.00418141, 0 ], [ -0.00233679, 0.00314809, 0.00201148 ], [ 0.00233679, -0.00314809, -0.00201148 ], [ 0.00233679, -0.00314809, 0.00201148 ], [ -0.00233679, 0.00314809, -0.00201148 ], [ 0.00030908, -0.0058982, 0 ], [ -0.00030908, 0.0058982, 0 ] ]
0.859945
7.581072
pbe
true
65e98dc35e4fefc5fcbd58a6825029d3_63_U2Ga2Rh6
[ "Ga", "Rh", "Zr" ]
16
A5B2C
GaRh5Zr2
Zr4 Ga2 Rh10
3
[ 1, 1, 1 ]
3
[ [ 4.07958554, 0, 0 ], [ 0, 5.57665654, 0 ], [ 0, 0, 11.02909671 ] ]
agm005972791
[ [ 2.03979277, 1.7295530704329332, 3.9901560180970606 ], [ 2.03979277, 3.8471034695670667, 7.038940691902939 ], [ 2.03979277, 1.058775199567067, 9.50470437309706 ], [ 2.03979277, 4.517881340432933, 1.5243923369029393 ], [ 0, 0, 5.514548355 ], [ 0, 2.78832827, 0 ], [ 2.03979277, 1.7009342825018727, 1.2162378307519999 ], [ 2.03979277, 3.8757222574981274, 9.812858879248 ], [ 2.03979277, 4.489262552501873, 4.298310524248 ], [ 2.03979277, 1.0873939874981273, 6.730786185752 ], [ 0, 5.245922160948178, 8.243600397510715 ], [ 0, 0.33073437905182224, 2.7854963124892844 ], [ 0, 2.457593890948178, 8.300044667489285 ], [ 0, 3.119062649051822, 2.7290520425107148 ], [ 0, 2.78832827, 5.514548355 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Zr", "Zr", "Zr", "Zr", "Ga", "Ga", "Rh", "Rh", "Rh", "Rh", "Rh", "Rh", "Rh", "Rh", "Rh", "Rh" ]
2023-11-16 06:57:59
[ 0.125, 0.625, 0.25 ]
[ [ 11.525374, 0, 0 ], [ 0, 11.063061, 0 ], [ 0, 0, 11.246299 ] ]
-127.105057
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0.00209647, 0.00088534 ], [ 0, -0.00209647, -0.00088534 ], [ 0, -0.00209647, 0.00088534 ], [ 0, 0.00209647, -0.00088534 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, -0.00043413, 0.00013465 ], [ 0, 0.00043413, -0.00013465 ], [ 0, -0.00043413, -0.00013465 ], [ 0, 0.00043413, 0.00013465 ], [ 0, -0.00062352, -0.00084345 ], [ 0, 0.00062352, 0.00084345 ], [ 0, -0.00062352, 0.00084345 ], [ 0, 0.00062352, -0.00084345 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000001
11.685048
pbe
true
aefa267ce7e073e390ad2b40fc354c5c_55_Zr4Ga2Rh10
[ "Ga", "Ru", "Tm" ]
8
A5B2C
Ga5RuTm2
Tm2 Ga5 Ru1
3
[ 1, 1, 1 ]
3
[ [ 5.90639187, 0.12241393, 0.1744614 ], [ -2.80138893, 5.20121815, -0.1744614 ], [ -2.80138893, -1.93340371, 4.83167229 ] ]
agm003478662
[ [ 0.0987633779437934, -0.057603638927032894, 3.7114611527357684 ], [ 0.09876337794379329, 3.509707291072967, 1.2083943077357684 ], [ -1.5097134381715525, 2.4052352950763947, 3.427883746908336 ], [ -2.836815882700455, 3.1792664346587807, 1.288223210020891 ], [ -2.836815882700455, 0.12987347299049143, 3.427883746908336 ], [ 1.7424735427706421, 1.0263185425728776, 1.462684610020891 ], [ 4.541142874881283, 0.9186940060486394, 1.3093006969533951 ], [ -5.233914553392391, 3.052675294769193, 4.350599731860247 ] ]
[{"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Tm", "Tm", "Ga", "Ga", "Ga", "Ga", "Ga", "Ru" ]
2023-11-16 06:57:59
[ 0.625, 0.125, 0.25 ]
[ [ 2.8452268, 0.0431294, 0.06146699 ], [ 0.0431294, 2.8940182, -0.03585056 ], [ 0.06146699, -0.03585056, 2.8680801 ] ]
-36.592025
[ 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ -0.00087358, 0.00050951, 0.00072614 ], [ -0.00087358, 0.00050951, 0.00072614 ], [ 0.00099038, -0.00059442, -0.00084715 ], [ 0.00100499, -0.00060294, -0.0008236 ], [ 0.00100499, -0.00056938, -0.00084715 ], [ 0.00101959, -0.0005779, -0.0008236 ], [ -0.00223755, 0.00130505, 0.00185993 ], [ -0.00003524, 0.00002056, 0.0000293 ] ]
-0.000115
3.334143
pbe
true
c3ca0dd79e9620edef9f66e219f2eb60_107_Tm2Ga5Ru1
[ "Ga", "S", "Sm" ]
15
A8B6C
Ga6S8Sm
Sm1 Ga6 S8
3
[ 1, 1, 1 ]
3
[ [ 6.8452124, -0.1328447, -0.13719229 ], [ -0.3462661, 6.83773942, -0.13719229 ], [ -0.3462661, -0.3572391, 6.82977908 ] ]
agm003700717
[ [ 0, 0, 0 ], [ 4.214209231278686, 2.25593539129928, 4.926729989987538 ], [ 2.1234067393502825, 4.786315396003068, 4.438896384385904 ], [ 4.717763028179338, 4.363467753540311, 2.4133655979711426 ], [ 1.9384709687213133, 4.09172022870072, 1.6286645100124622 ], [ 4.029273460649718, 1.5613402239969325, 2.1164981156140956 ], [ 1.4349171718206628, 1.984187866459689, 4.142028902028858 ], [ 4.502606248478035, 4.645291633684895, 4.797317474251065 ], [ 1.6500739515219662, 1.7023639863151048, 1.758077025748935 ], [ 3.927458158602052, 6.181361572311658, 1.176877805862498 ], [ 6.055866473732227, 1.043692139387477, 4.154080857385109 ], [ 0.8543162439741973, 3.9560266922590013, 6.216043469827302 ], [ 2.225222041397948, 0.16629404768834166, 5.3785166941375016 ], [ 0.09681372626777306, 5.3039634806125235, 2.4013136426148907 ], [ 5.2983639560258045, 2.391628927741, 0.3393510301726973 ] ]
[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Sm", "Ga", "Ga", "Ga", "Ga", "Ga", "Ga", "S", "S", "S", "S", "S", "S", "S", "S" ]
2023-11-16 06:57:59
[ 0.4, 0.5333333333333333, 0.06666666666666667 ]
[ [ 1.089382, 0.0153221, 0.01582361 ], [ 0.01532216, 1.0903382, 0.01632499 ], [ 0.01582355, 0.01632505, 1.0913898 ] ]
-64.154444
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0.0070436, 0.00168209, 0.0008486 ], [ 0.0014616, 0.00061984, 0.00711628 ], [ 0.00057396, 0.00706494, 0.00170854 ], [ -0.0070436, -0.00168209, -0.0008486 ], [ -0.0014616, -0.00061984, -0.00711628 ], [ -0.00057396, -0.00706494, -0.00170854 ], [ -0.00164828, -0.00170051, -0.00175616 ], [ 0.00164828, 0.00170051, 0.00175616 ], [ 0.00063611, 0.00034729, -0.0020583 ], [ 0.00032728, -0.00207805, 0.00058004 ], [ -0.00208724, 0.0005713, 0.00028085 ], [ -0.00063611, -0.00034729, 0.0020583 ], [ -0.00032728, 0.00207805, -0.00058004 ], [ 0.00208724, -0.0005713, -0.00028085 ] ]
0.000003
9.422718
pbe
true
3cd5f333e53a70ad14b8c9e74c606573_148_Sm1Ga6S8
[ "Ga", "Sc", "Sn" ]
5
A2B2C
Ga2ScSn2
Sc1 Ga2 Sn2
3
[ 1, 1, 1 ]
3
[ [ 4.18482315, 0, 0 ], [ 0, 4.18482315, 0 ], [ 2.09241157, 2.09241157, 6.95596208 ] ]
agm002944016
[ [ 0, 0, 0 ], [ 4.1848231474999995, 2.0924115724999997, 3.47798104 ], [ 2.0924115724999997, 4.1848231474999995, 3.47798104 ], [ 2.092411574121592, 2.092411574121592, 1.222034547753728 ], [ 4.184823145878408, 4.184823145878408, 5.733927532246272 ] ]
[{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Sc", "Sn", "Sn", "Ga", "Ga" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.4 ]
[ [ 3.0756955, 0, 0 ], [ 0, 3.0756955, 0 ], [ 0, 0, 3.4565947 ] ]
-20.141085
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.02059781 ], [ 0, 0, -0.02059781 ] ]
0
4.063849
pbe
true
c73f8aae4d187f1ffe8575ed15e96c65_139_Sc1Ga2Sn2
[ "Ga", "Sn", "Tc" ]
5
A3BC
GaSn3Tc
Ga1 Tc1 Sn3
3
[ 1, 1, 1 ]
3
[ [ 5.18657396, 0, 0 ], [ 0, 5.18657396, 0 ], [ 0, 0, 5.18657396 ] ]
agm002482384
[ [ 0, 2.59328698, 0 ], [ 0, 0, 2.59328698 ], [ 2.59328698, 0, 0 ], [ 2.59328698, 2.59328698, 2.59328698 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Sn", "Sn", "Sn", "Ga", "Tc" ]
2023-11-16 06:57:59
[ 0.2, 0.6, 0.2 ]
[ [ 3.1565707, 0, 0 ], [ 0, 3.1565707, 0 ], [ 0, 0, 3.1565707 ] ]
-23.958485
[ 0.01, 0.023, -0.013, 0.057, 0.437 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.776027
5.922963
pbe
true
f324e3ae60b05db1dca09fbbe64c8f7b_221_Ga1Tc1Sn3
[ "Ga", "Tc", "Tm" ]
3
ABC
GaTcTm
Tm1 Ga1 Tc1
3
[ 1, 1, 1 ]
3
[ [ 3.42709225, 0, 0 ], [ 0, 3.42709225, 0 ], [ -1.71354613, -1.71354613, 4.73648383 ] ]
agm001836538
[ [ 1.7135461034064634, 1.7135461034064634, 4.223120172179965 ], [ -2.5879218052756108e-9, -2.5879218052756108e-9, 2.451529951800899 ], [ 1.713546140681468, 1.713546140681468, 1.3773629140514765 ] ]
[{"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Tm", "Tc", "Ga" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 2.479591, 0, 0 ], [ 0, 2.479591, 0 ], [ 0, 0, 2.50857 ] ]
-18.741441
[ 0, 0, 0 ]
[ [ 0, 0, -0.00403254 ], [ 0, 0, -0.00133673 ], [ 0, 0, 0.00536927 ] ]
0.000001
2.92258
pbe
true
e85be53441fe863a45992fb2ec117057_107_Tm1Ga1Tc1
[ "Ga", "Te", "Y" ]
6
ABC
GaTeY
Y2 Ga2 Te2
3
[ 1, 1, 1 ]
3
[ [ 4.29765666, 0, 0 ], [ 2.14882833, 3.72187984, 0 ], [ 2.14882833, 1.24062661, 11.53126732 ] ]
agm001021044
[ [ 4.297654511171671, 2.4812519850189445, 3.532405405684096 ], [ 4.297658808828331, 2.481254464981056, 7.9988619143159045 ], [ 2.1488261811716702, 1.2406253721643037, 1.8764242062075949 ], [ 6.4464871388283305, 3.7218810778356968, 9.654843113792404 ], [ 6.446482819683387, 3.7218785853472895, 5.603612781331628 ], [ 2.1488305003166137, 1.240627864652711, 5.927654538668372 ] ]
[{"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
[ "Y", "Y", "Te", "Te", "Ga", "Ga" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 0.8766491, 0, 0 ], [ 0, 0.8766491, 0 ], [ 0, 0, 0.96218 ] ]
-30.381878
[ 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0.00425053 ], [ 0, 0, -0.00425053 ], [ 0, 0, 0.00033119 ], [ 0, 0, -0.00033119 ], [ 0, 0, -0.00269172 ], [ 0, 0, 0.00269172 ] ]
-0
2.493416
pbe
true
4b35eda3c3df5bfa6f4909b9cf98c27b_166_Y2Ga2Te2
[ "Ga", "Te", "Y" ]
16
A4B3C
GaTe3Y4
Y8 Ga2 Te6
3
[ 1, 1, 1 ]
3
[ [ 7.47378539, 0.06399455, 0 ], [ -2.55988019, 7.0949029, 0 ], [ 0, 0, 8.70677894 ] ]
agm006011520
[ [ 6.736980410837327, 1.7190174776873846, 5.624499005805963 ], [ 3.166372821982148, 1.650776038291673, 7.708572071255715 ], [ 3.000087715837327, 1.6870202026873846, 3.0822799341940375 ], [ -0.5705198730178517, 1.618778763291673, 0.9982068687442844 ], [ 5.484425073017852, 5.540118686708327, 7.708572071255715 ], [ 1.9138174841626727, 5.471877247312616, 5.624499005805963 ], [ 1.7475323780178516, 5.508121411708327, 0.9982068687442844 ], [ -1.823075210837327, 5.439879972312616, 3.0822799341940375 ], [ 5.6053390425, 0.0479959125, 3.292331324392695 ], [ 1.8684463475, 0.0159986375, 5.414447615607305 ], [ 4.3253989475, 3.5954473625, 5.3883262339738325 ], [ 4.3253989475, 3.5954473625, 1.0905040366434378 ], [ 0.5885062525, 3.5634500875, 3.3184527060261675 ], [ 0.5885062525, 3.5634500875, 7.616274903356562 ], [ 5.6053390425, 0.0479959125, 7.646434053723459 ], [ 1.8684463475, 0.0159986375, 1.06034488627654 ] ]
[{"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
[ "Y", "Y", "Y", "Y", "Y", "Y", "Y", "Y", "Te", "Te", "Te", "Te", "Te", "Te", "Ga", "Ga" ]
2023-11-16 06:57:59
[ 0.125, 0.375, 0.5 ]
[ [ 0.48631296, -0.01828481, 0 ], [ -0.01828461, 0.4853468, 0 ], [ 0, 0, 0.52013403 ] ]
-96.012013
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0.00097494, 0.00103689, 0.00335403 ], [ -0.00085804, -0.00195955, -0.00291438 ], [ 0.00097494, 0.00103689, -0.00335403 ], [ -0.00085804, -0.00195955, 0.00291438 ], [ 0.00085804, 0.00195955, -0.00291438 ], [ -0.00097494, -0.00103689, 0.00335403 ], [ 0.00085804, 0.00195955, 0.00291438 ], [ -0.00097494, -0.00103689, -0.00335403 ], [ 0, 0, 0.00220641 ], [ 0, 0, -0.00220641 ], [ 0, 0, -0.0008276 ], [ 0, 0, -0.00223463 ], [ 0, 0, 0.0008276 ], [ 0, 0, 0.00223463 ], [ 0, 0, 0.0042452 ], [ 0, 0, -0.0042452 ] ]
-0
2.548449
pbe
true
a26b99bff98d62be4583b45c837b8654_13_Y8Ga2Te6
[ "Ga", "Zn", "Zr" ]
8
A6BC
GaZnZr6
Zr6 Zn1 Ga1
3
[ 1, 1, 1 ]
3
[ [ 4.84189126, -0.46543833, 1.30440855 ], [ -0.90323022, 4.77947698, 1.30491042 ], [ 0.1234668, 0.13451007, 7.4348151 ] ]
agm005823372
[ [ 3.0098336809681836, 3.2962320055293213, 5.694246170760716 ], [ 2.9726822744674823, 0.3711261311302521, 6.664395754721246 ], [ 0.10029661749996238, 2.9936140287535826, 6.664716741165447 ], [ 1.0894455655325173, 4.077422588869748, 3.379738315278753 ], [ 1.0522941590318158, 1.1523167144706792, 4.349887899239283 ], [ 3.9618312225000376, 1.454934691246418, 3.3794173288345535 ], [ 0, 0, 0 ], [ 1.9693305199999998, 2.1570193250000003, 1.304659485 ] ]
[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Zr", "Zr", "Zr", "Zr", "Zr", "Zr", "Zn", "Ga" ]
2023-11-16 06:57:59
[ 0.125, 0.125, 0.75 ]
[ [ 2.6232417, -0.06415114, -0.10529175 ], [ -0.06415114, 2.6115623, -0.11535579 ], [ -0.10529175, -0.11535579, 2.832896 ] ]
-57.124609
[ 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0.00103822, 0.00113758, -0.00344797 ], [ 0.00067554, 0.00074019, -0.0022435 ], [ 0.00067554, 0.00074019, -0.0022435 ], [ -0.00067554, -0.00074019, 0.0022435 ], [ -0.00103822, -0.00113758, 0.00344797 ], [ -0.00067554, -0.00074019, 0.0022435 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000008
8.722931
pbe
true
dcf62ac19a2bce94d475000f43f2600b_69_Zr6Zn1Ga1
[ "Gd", "H", "Th" ]
5
A3BC
Gd3HTh
Gd3 Th1 H1
3
[ 1, 1, 1 ]
3
[ [ 5.03008801, 0, 0 ], [ 0, 5.03008801, 0 ], [ 0, 0, 5.03008801 ] ]
agm001105790
[ [ 0, 0, 0 ], [ 0, 2.515044005, 0 ], [ 0, 0, 2.515044005 ], [ 2.515044005, 0, 0 ], [ 2.515044005, 2.515044005, 2.515044005 ] ]
[{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}]
[ "H", "Gd", "Gd", "Gd", "Th" ]
2023-11-16 06:57:59
[ 0.6, 0.2, 0.2 ]
[ [ 3.2089841, 0, 0 ], [ 0, 3.2089841, 0 ], [ 0, 0, 3.2089841 ] ]
-53.681183
[ -0.017, 7.039, 7.039, 7.039, -0.15 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
21.228657
5.214923
pbe
true
fcb49425adcd06d55afb80ab44500c92_221_Gd3Th1H1
[ "Gd", "Ho", "Zr" ]
3
ABC
GdHoZr
Gd1 Ho1 Zr1
3
[ 1, 1, 1 ]
3
[ [ 3.39418595, 0, 0 ], [ 0, 3.39418595, 0 ], [ -1.69709298, -1.69709298, 7.39102226 ] ]
agm001844043
[ [ -2.040530344910244e-8, -2.040530344910244e-8, 5.0767061236206 ], [ 1.6970929734532965, 1.6970929734532965, 2.2863438518035366 ], [ -1.8923200367796172e-11, -1.8923200367796172e-11, 0.0279723584860864 ] ]
[{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}]
[ "Gd", "Ho", "Zr" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 2.1700246, 0, 0 ], [ 0, 2.1700246, 0 ], [ 0, 0, 2.04017 ] ]
-26.966972
[ 7.156, 0.078, -0.037 ]
[ [ 0, 0, 0.0024692 ], [ 0, 0, -0.0051138 ], [ 0, 0, 0.0026446 ] ]
7.425548
4.185608
pbe
true
cb61257dfde26a407770ca0b4122f869_107_Gd1Ho1Zr1
[ "Gd", "Ho", "Zr" ]
4
A2BC
Gd2HoZr
Gd2 Ho1 Zr1
3
[ 1, 1, 1 ]
3
[ [ 4.87796252, 0, 0 ], [ 0, 4.86863478, 0 ], [ 0, 0, 4.86863478 ] ]
agm001233745
[ [ 0, 0, 2.43431739 ], [ 0, 2.43431739, 0 ], [ 2.43898126, 2.43431739, 2.43431739 ], [ 2.43898126, 0, 0 ] ]
[{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}]
[ "Gd", "Gd", "Ho", "Zr" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 2.3129656, 0, 0 ], [ 0, 2.3140492, 0 ], [ 0, 0, 2.3140492 ] ]
-40.889944
[ -7.083, -7.083, 0.071, 0.244 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-13.994658
5.409597
pbe
true
f8f12b70e37e138860a910fddd7ba4e5_123_Gd2Ho1Zr1
[ "Gd", "K", "Te" ]
4
A2BC
GdKTe2
Gd1 K1 Te2
3
[ 1, 1, 1 ]
3
[ [ 4.37773895, -0.0005742, 7.4296037 ], [ 2.0256494, 3.88089464, 7.4296037 ], [ -0.00094756, -0.0005742, 8.62343369 ] ]
mp-20420
[ [ 3.201220395, 1.9398731200000001, 11.741320545 ], [ 1.682065826670446, 1.0192969807155616, 6.169420287205223 ], [ 4.720374963329554, 2.860449259284439, 17.313220802794778 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}]
[ "K", "Te", "Te", "Gd" ]
2014-02-21 06:17:48
[ 0.25, 0.25, 0.5 ]
[ [ 0.49700895, -0.0268239, -0.16235494 ], [ -0.0268239, 0.5250196, -0.09838372 ], [ -0.16235494, -0.09838372, -0.05420525 ] ]
-27.135227
[]
[ [ 0, 0, 0 ], [ 0.01924431, 0.01166166, 0.0705836 ], [ -0.01924431, -0.01166166, -0.0705836 ], [ 0, 0, 0 ] ]
null
2.725956
pbe
true
387c0cdb3f72ec7bdf8bd03793136c46_166_K1Gd1Te2
[ "Gd", "Ni", "Tm" ]
3
ABC
GdNiTm
Gd1 Tm1 Ni1
3
[ 1, 1, 1 ]
3
[ [ 4.72981097, 0, 0 ], [ 2.36490548, 4.09613645, 0 ], [ 2.36490548, 1.36537882, 3.86187448 ] ]
agm001238394
[ [ 0, 0, 0 ], [ 2.3649054825, 1.3653788175000001, 0.96546862 ], [ 4.729810965, 2.7307576350000002, 1.93093724 ] ]
[{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"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"]}]
[ "Gd", "Ni", "Tm" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ -2.206103, 0, 0 ], [ 0, -2.206103, 0 ], [ 0, 0, -2.206103 ] ]
-24.828137
[ 7.052, -0.042, 0.056 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
7.211483
2.903799
pbe
true
47f38faf8227e728ef2ca09987e22927_216_Gd1Tm1Ni1
[ "Gd", "Ni", "Zr" ]
4
A2BC
GdNi2Zr
Gd1 Zr1 Ni2
3
[ 1, 1, 1 ]
3
[ [ 3.29592625, 0, 0 ], [ 0, 3.29592625, 0 ], [ 0, 0, 6.7593382 ] ]
agm001135582
[ [ 0, 0, 5.3629806635609825 ], [ 0, 0, 1.396357536439018 ], [ 1.647963125, 1.647963125, 3.3796691 ], [ 1.647963125, 1.647963125, 0 ] ]
[{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}]
[ "Ni", "Ni", "Gd", "Zr" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ -4.139429, 0, 0 ], [ 0, -4.139429, 0 ], [ 0, 0, -4.3688188 ] ]
-35.609915
[ -0.009, -0.009, -7.074, -0.02 ]
[ [ 0, 0, -0.0061615 ], [ 0, 0, 0.0061615 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-7.280776
4.6463
pbe
true
fe21618372fa1a7d0798710d12555cfa_123_Gd1Zr1Ni2
[ "Gd", "Pt", "Sn" ]
3
ABC
GdPtSn
Gd1 Sn1 Pt1
3
[ 1, 1, 1 ]
3
[ [ 4.73343621, 0, 0 ], [ 2.3667181, 4.099276, -3e-8 ], [ 2.3667181, 1.36642553, 3.86483435 ] ]
agm002320227
[ [ 0, 0, 0 ], [ 4.733436205, 2.732850765, 1.9324171600000002 ], [ 2.3667181025, 1.3664253825, 0.9662085800000001 ] ]
[{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]
[ "Gd", "Sn", "Pt" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 5.112943, 0, 0 ], [ 0, 5.112943, 2.3e-7 ], [ 0, 2.3e-7, 5.1129427 ] ]
-27.139441
[ 7.124, 0.096, 0.09 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
7.612195
3.714599
pbe
true
0e4232736dff2e5d69fb4a7f0b383b62_216_Gd1Sn1Pt1
[ "Gd", "S", "Se" ]
3
ABC
GdSSe
Gd1 Se1 S1
3
[ 1, 1, 1 ]
3
[ [ 5.80992465, 0, 0 ], [ 0, 4.18445635, 0 ], [ 0, -2.09222818, 3.6238455 ] ]
agm001413712
[ [ 4.4382797579192825, 2.0922281942556147, 1.207948487920515 ], [ 5.7044600508901215, 0, 0 ], [ 1.4771094911905964, -2.4255615515495406e-8, 2.415897012079485 ] ]
[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}]
[ "S", "Gd", "Se" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 0.27336758, 0, 0 ], [ 0, 0.39266127, 0 ], [ 0, 0, 0.39266127 ] ]
-25.611968
[ -0.194, 6.894, -0.288 ]
[ [ 0.00243337, 0, 0 ], [ 0.00083526, 0, 0 ], [ -0.00326863, 0, 0 ] ]
6.222305
3.146188
pbe
true
be7171dcde20e97c26fd6156d4b82687_156_Gd1Se1S1
[ "Gd", "Se", "Tb" ]
3
ABC
GdSeTb
Tb1 Gd1 Se1
3
[ 1, 1, 1 ]
3
[ [ 3.88690611, 0, 0 ], [ -1.94345305, 3.36615943, 0 ], [ 0, 0, 6.57782136 ] ]
agm001264981
[ [ 0, 0, 0.3395333909565576 ], [ -1.6101197246429356e-8, 2.2441062978871984, 4.038884468605721 ], [ 1.9434530761011974, 1.122053132112802, 2.199403566215935 ] ]
[{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}]
[ "Gd", "Tb", "Se" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 0.9709214, 0, 0 ], [ 0, 0.9709214, 0 ], [ 0, 0, 1.0631148 ] ]
-25.610319
[ 7.288, 0.296, -0.003 ]
[ [ 0, 0, 0.00334601 ], [ 0, 0, -0.00133859 ], [ 0, 0, -0.00200743 ] ]
8.257535
3.230546
pbe
true
f8b3b15fb1e2c157973b47e2d5e4e2b8_156_Tb1Gd1Se1
[ "Gd", "Tb", "Y" ]
4
A2BC
GdTb2Y
Tb2 Gd1 Y1
3
[ 1, 1, 1 ]
3
[ [ 5.69210459, 0, 0 ], [ 2.84605229, 4.92950717, 0 ], [ 2.84605229, 1.64316906, 4.64758393 ] ]
agm001100816
[ [ 5.692104584999999, 3.286338115, 2.323791965 ], [ 0, 0, 0 ], [ 2.8460522924999996, 1.6431690575, 1.1618959825 ], [ 8.538156877499999, 4.929507172499999, 3.4856879474999998 ] ]
[{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
[ "Y", "Gd", "Tb", "Tb" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ 1.1129284, 0, 0 ], [ 0, 1.1129284, 0 ], [ 0, 0, 1.1129284 ] ]
-29.322621
[ 0.199, 7.353, 0.293, 0.293 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
8.99637
7.822018
pbe
true
e3fa04109cef284abe994c4c443c6d8a_225_Tb2Gd1Y1
[ "Gd", "Y", "Zr" ]
3
ABC
GdYZr
Gd1 Y1 Zr1
3
[ 1, 1, 1 ]
3
[ [ 3.42656385, 0, 0 ], [ -1.71328193, 2.96749134, 0 ], [ 0, 0, 8.47460219 ] ]
agm001262738
[ [ 0, 0, 0.16034955821140612 ], [ -2.04661526987203e-8, 1.9783275698916378, 5.48599491401847 ], [ 1.7132819404661528, 0.9891637701083622, 2.8282577177701245 ] ]
[{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
[ "Y", "Gd", "Zr" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 2.62906, 0, 0 ], [ 0, 2.62906, 0 ], [ 0, 0, 2.6494107 ] ]
-28.779018
[ 0.016, 7.13, -0.091 ]
[ [ 0, 0, -0.00073455 ], [ 0, 0, -0.00090133 ], [ 0, 0, 0.00163588 ] ]
7.215542
3.993367
pbe
true
21a75332506aef80b64f8a74b1781b99_156_Gd1Y1Zr1
[ "Ge", "Hg", "Na" ]
16
A2BC
GeHgNa2
Na8 Hg4 Ge4
3
[ 1, 1, 1 ]
3
[ [ 6.11994956, -0.00005425, -0.00007278 ], [ -0.00009706, 11.48085451, 1.08946468 ], [ -0.00007637, -4.40220293, 5.36161042 ] ]
agm003618863
[ [ 5.0231141364358045, -0.09493701021039691, 1.224851665881613 ], [ 1.9630972169823406, 1.4330129987395588, 4.681452808041188 ], [ 1.0966619935641957, 7.173534340210398, 5.226150654118387 ], [ 4.15667891301766, 5.645584331260441, 1.769549511958812 ], [ 5.566018269091641, 3.8332215220161445, 5.12465628891867 ], [ 2.506007145724267, 8.985877663021055, 1.8709909975537684 ], [ 0.5537578609083595, 3.2453758079838564, 1.32634603108133 ], [ 3.6137689842757332, -1.9072803330210548, 4.580011322446231 ], [ 2.0566190708628223, 0.5178030208062029, 1.7017103332101362 ], [ 5.116474066444042, 0.8201987010944108, 4.204344086771502 ], [ 4.063157059137177, 6.560794309193798, 4.749291986789864 ], [ 1.0033020635559593, 6.2583986289055895, 2.246658233228498 ], [ 3.7417901858155385, 2.6816114379505995, 2.518622673873589 ], [ 0.681835309932744, -1.3434586991416226, 3.3878285394750542 ], [ 2.377985944184462, 4.396985892049401, 3.9323796461264107 ], [ 5.437940820067256, 8.422056029141622, 3.0631737805249455 ] ]
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}]
[ "Na", "Na", "Na", "Na", "Na", "Na", "Na", "Na", "Hg", "Hg", "Hg", "Hg", "Ge", "Ge", "Ge", "Ge" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
[ [ 2.6056526, -0.00003993, -0.00008136 ], [ -0.00003992, 2.713583, -0.05352005 ], [ -0.00008136, -0.05349884, 2.5811317 ] ]
-32.247125
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ -0.00133612, 0.00424275, -0.0022435 ], [ -0.00133615, -0.00424273, 0.00224353 ], [ 0.00133612, -0.00424275, 0.0022435 ], [ 0.00133615, 0.00424273, -0.00224353 ], [ 0.00150506, -0.00160296, -0.00347678 ], [ 0.0015049, 0.00160293, 0.00347675 ], [ -0.00150506, 0.00160296, 0.00347678 ], [ -0.0015049, -0.00160293, -0.00347675 ], [ -0.00013652, -0.00285068, -0.00177403 ], [ -0.00013663, 0.00285069, 0.00177403 ], [ 0.00013652, 0.00285068, 0.00177403 ], [ 0.00013663, -0.00285069, -0.00177403 ], [ 0.01569173, -0.00383075, 0.00113948 ], [ 0.01569173, 0.00383047, -0.00113985 ], [ -0.01569173, 0.00383075, -0.00113948 ], [ -0.01569173, -0.00383047, 0.00113985 ] ]
-0.00001
6.164833
pbe
true
453fd75326a2235abd463dcdcb9512f8_14_Na8Hg4Ge4
[ "Ge", "I", "La" ]
20
A12B7C
GeI12La7
La7 Ge1 I12
3
[ 1, 1, 1 ]
3
[ [ 10.15182554, -0.1517418, -0.2277579 ], [ -2.96858444, 9.70927874, -0.22775789 ], [ -2.96858443, -3.94979858, 8.87248886 ] ]
agm003701618
[ [ 5.123793200154027, 2.9338024057014986, 7.54606509830736 ], [ 2.8212804769283326, 0.8536982489715037, 0.21568310465695864 ], [ 0.03554322444896782, -0.9361728059295079, 2.8030805511547077 ], [ 2.1073283350000005, 2.8038691800000004, 4.2084865350000005 ], [ 4.1791134455510335, 6.543911165929509, 5.613892518845293 ], [ 1.3933761930716675, 4.754040111028497, 8.201289965343042 ], [ -0.9091365301540256, 2.6739359542985013, 0.8709079716926404 ], [ 0, 0, 0 ], [ 6.148526519886206, -0.14799769803734564, 6.536882930303827 ], [ 6.066483294811086, 1.8340888877111652, 0.4868136903962713 ], [ 3.1738210693999798, -0.11593822097822011, 3.3261749890274475 ], [ 5.208538553282951, 3.699975941004276, 4.3521651750238615 ], [ 0.07490625190984163, -1.991582561655184, 6.035816190220009 ], [ 2.1057700795040364, 1.6931397791320602, 7.242861833615033 ], [ 2.1088865904959637, 3.91459858086794, 1.1741112363849675 ], [ 4.139750418090159, 7.599320921655186, 2.3811568797799905 ], [ -0.9938818832829502, 1.9077624189957239, 4.064807894976139 ], [ 1.0408356006000208, 5.72367658097822, 5.090798080972553 ], [ -1.851826624811085, 3.7736494722888345, 7.9301593796037295 ], [ -1.933869849886204, 5.755736058037345, 1.8800901396961736 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}]
[ "La", "La", "La", "La", "La", "La", "La", "Ge", "I", "I", "I", "I", "I", "I", "I", "I", "I", "I", "I", "I" ]
2023-11-16 06:57:59
[ 0.05, 0.6, 0.35 ]
[ [ 0.23942108, -0.00716476, -0.01075392 ], [ -0.00716469, 0.23527303, -0.01430849 ], [ -0.01075396, -0.01430846, 0.22332953 ] ]
-85.722644
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0.00263633, 0.00179915, 0.00007082 ], [ -0.00099514, 0.00110269, -0.00282595 ], [ 0.00133591, -0.00235785, -0.00168763 ], [ 0, 0, 0 ], [ -0.00133591, 0.00235785, 0.00168763 ], [ 0.00099514, -0.00110269, 0.00282595 ], [ -0.00263633, -0.00179915, -0.00007082 ], [ 0, 0, 0 ], [ -0.00018514, 0.00103982, 0.00238062 ], [ -0.00105029, -0.00215409, -0.00101963 ], [ -0.00462366, 0.00109472, -0.00144874 ], [ -0.00233721, -0.00025639, 0.00437575 ], [ -0.00177709, -0.00032169, -0.00187652 ], [ 0.0004036, 0.00493032, -0.00045227 ], [ -0.0004036, -0.00493032, 0.00045227 ], [ 0.00177709, 0.00032169, 0.00187652 ], [ 0.00233721, 0.00025639, -0.00437575 ], [ 0.00462366, -0.00109472, 0.00144874 ], [ 0.00105029, 0.00215409, 0.00101963 ], [ 0.00018514, -0.00103982, -0.00238062 ] ]
-0.00012
12.712533
pbe
true
eb6186e9cc9c5bdeec6c3194b7b50efc_148_La7Ge1I12
[ "Ge", "I", "Ta" ]
5
A3BC
GeITa3
Ta3 Ge1 I1
3
[ 1, 1, 1 ]
3
[ [ 4.99108705, 0, 0 ], [ 0, 4.99108705, 0 ], [ 0, 0, 4.99108705 ] ]
agm002484532
[ [ 0, 0, 0 ], [ 2.495543525, 2.495543525, 2.495543525 ], [ 0, 2.495543525, 0 ], [ 0, 0, 2.495543525 ], [ 2.495543525, 0, 0 ] ]
[{"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": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}]
[ "I", "Ge", "Ta", "Ta", "Ta" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.6 ]
[ [ 1.8397937, 0, 0 ], [ 0, 1.8397937, 0 ], [ 0, 0, 1.8397937 ] ]
-30.738816
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0
4.647513
pbe
true
b5ad609f39d6dd1cb22ce71aa12ab354_221_Ta3Ge1I1