LeMaterial
/
LeMat-Bulk
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
⌀
[ "Ge", "In", "Ir" ]
5
A2B2C
Ge2InIr2
In1 Ge2 Ir2
3
[ 1, 1, 1 ]
3
[ [ 4.27274514, 0, 0 ], [ 0, 4.27274514, 0 ], [ -2.13637257, -2.13637257, 5.04689781 ] ]
agm002277083
[ [ 2.136372578407928e-8, 2.136372578407928e-8, 3.7906840147497607 ], [ 2.136372548636274, 2.136372548636274, 1.256213795250239 ], [ 2.13637257, 0, 2.523448905 ], [ 0, 2.13637257, 2.523448905 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}]
[ "Ge", "Ge", "Ir", "Ir", "In" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.4 ]
[ [ 6.614338, 0, 0 ], [ 0, 6.614338, 0 ], [ 0, 0, -7.4919996 ] ]
-30.123762
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0.001782 ], [ 0, 0, -0.001782 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
2.193364
pbe
true
86581d77a3afaceaad6f07b279f09cb2_139_In1Ge2Ir2
[ "Ge", "Ir", "K" ]
5
A2B2C
Ge2Ir2K
K1 Ge2 Ir2
3
[ 1, 1, 1 ]
3
[ [ 4.38717377, 0, 0 ], [ 0, 4.38717377, 0 ], [ 2.19358689, 2.19358689, 5.13433893 ] ]
agm002927640
[ [ 4.387173772500001, 2.1935868875000004, 2.567169465 ], [ 2.1935868875000004, 4.387173772500001, 2.567169465 ], [ 2.1935868862643617, 2.1935868862643617, 1.2983321968954176 ], [ 4.387173773735639, 4.387173773735639, 3.836006733104582 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}]
[ "Ge", "Ge", "Ir", "Ir", "K" ]
2023-11-16 06:57:59
[ 0.4, 0.4, 0.2 ]
[ [ 1.8735136, 0, 0 ], [ 0, 1.8735136, 0 ], [ 0, 0, 1.7483114 ] ]
-28.421125
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00458597 ], [ 0, 0, -0.00458597 ], [ 0, 0, 0 ] ]
-0.000001
2.77218
pbe
true
707c8dc7655ec4845b645c3a896346a2_139_K1Ge2Ir2
[ "Ge", "Ir", "Os" ]
20
A6B3C
Ge6Ir3Os
Ge12 Ir6 Os2
3
[ 1, 1, 1 ]
3
[ [ 6.66457888, 0, -0.07643918 ], [ 0, 6.21227907, 0 ], [ -0.07504436, 0, 8.30669641 ] ]
agm003579219
[ [ 4.275599115064194, 0.889808337856566, 7.719745657230168 ], [ 4.295229898465625, 0.8861237730173582, 4.662240061323605 ], [ 4.537353605432962, 3.2070636616661035, 2.052414034960116 ], [ 2.052180914567037, 3.0052154083338967, 6.177843195039885 ], [ 2.294304621534375, 5.326155296982642, 3.568017168676396 ], [ 2.313935404935805, 5.322470732143434, 0.5105115727698334 ], [ 0.9808318550641943, 2.216331197143434, 3.604617042230167 ], [ 1.0004626384656248, 2.2200157619826415, 0.5471114463236042 ], [ 1.1675419854329623, 6.111354943333897, 6.2439818299601155 ], [ 5.421992534567037, 0.10092412666610369, 1.9862754000398846 ], [ 5.589071881534375, 3.9922633080173586, 7.683145783676397 ], [ 5.608702664935806, 3.995947872856566, 4.625640187769833 ], [ 3.415939078274206, 5.261042163629506, 6.188544235595199 ], [ 3.33228944, 3.106139535, -0.03821959 ], [ 3.1735954417257934, 0.9512369063704936, 2.0417129944048016 ], [ 0.1211718182742064, 4.057376441370494, 2.073415620595199 ], [ -0.03752218, 0, 4.153348205 ], [ 6.468362701725793, 2.1549026286295065, 6.156841609404802 ], [ 3.29476726, 3.106139535, 4.115128615000001 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}]
[ "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ir", "Ir", "Ir", "Ir", "Ir", "Ir", "Os", "Os" ]
2023-11-16 06:57:59
[ 0.6, 0.3, 0.1 ]
[ [ 3.6034791, 0, 0.02969557 ], [ 0, 3.688875, 0 ], [ 0.02969537, 0, 3.2536883 ] ]
-133.188815
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ -0.0037651, 0.00148124, 0.00512998 ], [ -0.00308372, 0.00443661, -0.00163023 ], [ -0.00630312, -0.00163362, -0.00470331 ], [ 0.00630312, 0.00163362, 0.00470331 ], [ 0.00308372, -0.00443661, 0.00163023 ], [ 0.0037651, -0.00148124, -0.00512998 ], [ -0.0037651, -0.00148124, 0.00512998 ], [ -0.00308372, -0.00443661, -0.00163023 ], [ -0.00630312, 0.00163362, -0.00470331 ], [ 0.00630312, -0.00163362, 0.00470331 ], [ 0.00308372, 0.00443661, 0.00163023 ], [ 0.0037651, 0.00148124, -0.00512998 ], [ -0.00055369, -0.00067339, 0.00032734 ], [ 0, 0, 0 ], [ 0.00055369, 0.00067339, -0.00032734 ], [ -0.00055369, 0.00067339, 0.00032734 ], [ 0, 0, 0 ], [ 0.00055369, -0.00067339, -0.00032734 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0
5.355037
pbe
true
1b7d0b2c09e90bd781055927f72b8baa_14_Ge12Ir6Os2
[ "Ge", "K", "Se" ]
6
ABC
GeKSe
K2 Ge2 Se2
3
[ 1, 1, 1 ]
3
[ [ 4.36361662, -0.00037609, -0.0001557 ], [ 1.36694074, 5.70997695, -0.00012624 ], [ 1.12086065, 2.51220564, 8.063329 ] ]
agm002089604
[ [ 2.505148373798483, 6.211790396801638, 1.879303512531315 ], [ 2.390312108360108, 5.871682769594379, 6.819396436295117 ], [ 3.537911513718444, 3.087513117666066, 3.5420658136823824 ], [ 1.3286482896653762, 3.0886570949928247, 4.9273630956744805 ], [ 3.451669833423835, 3.0083103280161048, 1.139776410860494 ], [ 4.59528535155426, 5.307530211469641, 4.3082187311835 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}]
[ "K", "K", "Ge", "Ge", "Se", "Se" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 0.9937822, -0.0540181, -0.03987011 ], [ -0.05401857, 1.0052162, -0.0269771 ], [ -0.03986989, -0.02697703, 0.9348164 ] ]
-21.999676
[ 0, 0, 0, 0, 0, 0 ]
[ [ -0.00175028, -0.00303355, 0.00080833 ], [ 0.00374611, -0.0035993, -0.00041119 ], [ -0.0013817, 0.0072987, 0.0015144 ], [ -0.00069024, -0.00029626, -0.00096486 ], [ 0.00141222, 0.0002494, -0.0018477 ], [ -0.00133611, -0.00061899, 0.00090102 ] ]
-0.000002
-0.004386
pbe
true
a25fa2ccf5283d5974675527251af6fb_1_K2Ge2Se2
[ "Ge", "K", "Te" ]
11
A7B2C2
Ge2K2Te7
K2 Ge2 Te7
3
[ 1, 1, 1 ]
3
[ [ 7.26514386, -2.17664286, -2.32723202 ], [ -2.1353823, 8.20748759, 0.64085973 ], [ -1.68292958, 1.67004342, 8.16774865 ] ]
agm005570842
[ [ 1.8398774151430715, 2.1677045727787245, 5.178110968654673 ], [ 1.606954564856929, 5.533183577221275, 1.303265391345327 ], [ -2.832328886874036, 7.827595160285521, 6.968877144789208 ], [ 6.279163002256336, -0.12671521777311123, -0.4875014256489372 ], [ -1.8506625566686357, 5.283491652028499, 6.590140081052215 ], [ 5.426741719162061, 0.5499168645623539, 2.0413596904082865 ], [ 5.297494536668636, 2.4173964979715006, -0.1087637210522153 ], [ -1.979909739162061, 7.150971285437645, 4.440016669591714 ], [ 1.6385255419260614, 1.9892589021395521, 1.629267316927064 ], [ 0, 0, 0 ], [ 1.808306438073939, 5.711629247860447, 4.852109043072936 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"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", "K", "Ge", "Ge", "Te", "Te", "Te", "Te", "Te", "Te", "Te" ]
2023-11-16 06:57:59
[ 0.18181818181818182, 0.18181818181818182, 0.6363636363636364 ]
[ [ 0.39340523, 0.0219905, 0.02204758 ], [ 0.02199061, 0.5431294, 0.08612733 ], [ 0.02204768, 0.08612734, 0.51592493 ] ]
-35.3728
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ -0.00009036, 0.0013056, -0.00150321 ], [ 0.00009036, -0.0013056, 0.00150321 ], [ 0.00140347, 0.00245449, 0.00204747 ], [ -0.00140347, -0.00245449, -0.00204747 ], [ -0.00111907, -0.00110119, 0.00104731 ], [ 0.0012515, -0.00081227, 0.00115575 ], [ 0.00111907, 0.00110119, -0.00104731 ], [ -0.0012515, 0.00081227, -0.00115575 ], [ -0.00442554, -0.00052799, -0.00019256 ], [ 0, 0, 0 ], [ 0.00442554, 0.00052799, 0.00019256 ] ]
-0
3.669221
pbe
true
1f0ed9dc7c3a445747176e6265d26a13_12_K2Ge2Te7
[ "Ge", "La", "Si" ]
11
A8B2C
GeLa8Si2
La8 Si2 Ge1
3
[ 1, 1, 1 ]
3
[ [ 5.75901364, -0.30474631, -1.20680544 ], [ -2.32771003, 7.32354798, -3.35090792 ], [ -0.2809261, -0.40720183, 8.3687784 ] ]
agm006010163
[ [ 2.186065674457442, 2.335452915956722, -0.9963342186145439 ], [ 2.6996734350194194, 0.39554463390418965, 1.944534017195789 ], [ -0.10737439903032062, 2.471512439144439, 1.649056061899268 ], [ 4.96325080928937, 0.6373349175929822, 4.133462756521114 ], [ 3.871770652881026, 4.759880481927453, -2.1162467854188276 ], [ 3.0551942516910233, 3.9497148865862814, 2.071807713782093 ], [ 0.2759060971689514, 6.56417716842431, 2.360995763358006 ], [ 0.7336767677833065, 4.835168322995305, 4.982136258949727 ], [ 1.2639117115249794, 5.092537831704823, -0.1965791177277263 ], [ 2.0587326220784283, 2.090481037539403, 4.354488347543607 ], [ -2.188979528807634, 6.772587923662362, 4.849751138746013 ] ]
[{"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": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "La", "La", "La", "La", "La", "La", "La", "La", "Si", "Si", "Ge" ]
2023-11-16 06:57:59
[ 0.09090909090909091, 0.7272727272727273, 0.18181818181818182 ]
[ [ 0.73549074, -0.05887766, -0.06048304 ], [ -0.05887775, 0.6093126, 0.00880457 ], [ -0.06048309, 0.00880456, 0.6279244 ] ]
-58.945453
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ -0.00319808, 0.00079531, -0.00160158 ], [ -0.00255825, -0.00162133, 0.00206202 ], [ 0.00172294, 0.00371702, 0.00215098 ], [ 0.00181022, -0.00133999, -0.00014364 ], [ 0.00155845, -0.00038906, -0.00158523 ], [ 0.00297713, 0.00017356, -0.00040545 ], [ 0.00081247, 0.00027252, -0.00092761 ], [ 0.00104256, -0.00059655, 0.00038989 ], [ -0.00234988, 0.00150676, 0.00002498 ], [ -0.00202116, 0.00026515, 0.00190722 ], [ 0.0002036, -0.00278339, -0.00187159 ] ]
-0.000007
10.386998
pbe
true
8169c9748c31a8157ce41e456cd5590d_8_La8Si2Ge1
[ "Ge", "La", "Si" ]
20
A3BC
GeLa3Si
La12 Si4 Ge4
3
[ 1, 1, 1 ]
3
[ [ 6.42341632, 0, 0 ], [ 0, 10.68726768, -1.04658715 ], [ 0, -4.42563312, 9.75916877 ] ]
agm003727708
[ [ 6.405225718855066, 1.6500366340031187, 2.270379966736405 ], [ 0.018190601144934402, 4.611597925996882, 6.442201653263597 ], [ 3.1935175588550657, 1.4807806459968818, 2.0859108432635955 ], [ 3.2298987611449346, 4.78085391400312, 6.626670776736405 ], [ 1.646161659749632, 4.688264405723851, 3.2375246129427353 ], [ 4.777254660250368, 1.5733701542761493, 5.475057007057265 ], [ 4.857869819749632, 9.129820554276149, 0.07217904705726522 ], [ 1.5655465002503681, -2.8681859942761485, 8.640402572942737 ], [ 4.817603221396122, 7.39853640243445, 4.592346510896172 ], [ 1.6058130986038786, -1.1369018424344497, 4.12023510910383 ], [ 1.6058950613961216, 1.9939154375655503, 8.47652591910383 ], [ 4.817521258603879, 4.26771912243445, 0.2360557008961706 ], [ 1.611508613386496, 3.9755473264349663, 0.44695217484778343 ], [ 4.811907706613504, 2.2860872335650337, 8.265629445152216 ], [ 4.823216773386496, -0.8447300464349662, 3.909338635152217 ], [ 1.6001995466135042, 7.106364606434966, 4.803242984847785 ], [ 4.814453499203609, 4.245267055796548, 3.5634092204061987 ], [ 1.6089628207963904, 2.0163675042034512, 5.149172399593803 ], [ 1.6027453392036097, 9.572817904203452, -0.2537055604061983 ], [ 4.820670980796391, -3.311183344203451, 8.966287180406198 ] ]
[{"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": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "La", "La", "La", "La", "La", "La", "La", "La", "La", "La", "La", "La", "Si", "Si", "Si", "Si", "Ge", "Ge", "Ge", "Ge" ]
2023-11-16 06:57:59
[ 0.2, 0.6, 0.2 ]
[ [ 0.676668, 0, 0 ], [ 0, 0.66101104, -0.02033516 ], [ 0, -0.02033525, 0.65236276 ] ]
-109.798656
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0.00374665, -0.00244716, -0.00039924 ], [ -0.00374665, 0.00244716, 0.00039924 ], [ 0.00374665, 0.00244716, 0.00039924 ], [ -0.00374665, -0.00244716, -0.00039924 ], [ -0.00157727, 0.00130273, -0.0011659 ], [ 0.00157727, -0.00130273, 0.0011659 ], [ -0.00157727, -0.00130273, 0.0011659 ], [ 0.00157727, 0.00130273, -0.0011659 ], [ 0.00004678, 0.00127726, 0.00020374 ], [ -0.00004678, -0.00127726, -0.00020374 ], [ 0.00004678, -0.00127726, -0.00020374 ], [ -0.00004678, 0.00127726, 0.00020374 ], [ -0.00087002, -0.00013703, -0.00010218 ], [ 0.00087002, 0.00013703, 0.00010218 ], [ -0.00087002, 0.00013703, 0.00010218 ], [ 0.00087002, -0.00013703, -0.00010218 ], [ -0.00124927, -0.00932056, 0.00267638 ], [ 0.00124927, 0.00932056, -0.00267638 ], [ -0.00124927, 0.00932056, -0.00267638 ], [ 0.00124927, -0.00932056, 0.00267638 ] ]
0.001671
18.746002
pbe
true
b381438fc40ec9dfb7cfc2c4cb8a04e5_14_La12Si4Ge4
[ "Ge", "Li", "Ni" ]
8
A2BC
GeLiNi2
Li2 Ni4 Ge2
3
[ 1, 1, 1 ]
3
[ [ 6.46177419, 0, 0 ], [ 0, 6.46177419, 0 ], [ 3.23088709, 3.23088709, 2.54188628 ] ]
agm002846445
[ [ 4.958713365638287, 1.6154435462499999, 0.63547157 ], [ 1.5030608218617134, 4.84633064125, 0.63547157 ], [ 4.84633063875, 4.733947914361713, 1.90641471 ], [ 8.07721773375, 8.189600458138287, 1.90641471 ], [ 0, 0, 0 ], [ 6.4617741875, 3.2308870924999997, 1.27094314 ], [ 3.230887095, 3.230887095, 0 ], [ 3.2308870924999997, 6.4617741875, 1.27094314 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}]
[ "Ni", "Ni", "Ni", "Ni", "Ge", "Ge", "Li", "Li" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
[ [ -6.740694, 0, 0 ], [ 0, -6.740694, 0 ], [ 0, 0, -5.0501194 ] ]
-35.804707
[ 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0.0116523, 0, 0 ], [ -0.0116523, 0, 0 ], [ 0, -0.0116523, 0 ], [ 0, 0.0116523, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
4.015787
pbe
true
9a0c65da296543ede0a1531a0171296f_122_Li2Ni4Ge2
[ "Ge", "Li", "Zn" ]
4
A2BC
GeLiZn2
Li1 Zn2 Ge1
3
[ 1, 1, 1 ]
3
[ [ 4.47388693, 0, 0 ], [ 2.23694347, 3.87449974, 0 ], [ 2.23694347, 1.29149991, 3.65478573 ] ]
agm005102920
[ [ 6.7108281431872285, 3.874498433084957, 2.7412327478399026 ], [ 2.236943447629198, 1.2914998970863687, 3.6532860983192665 ], [ 2.23694346749975, 1.2914999125002498, 0.9134226525009657 ], [ 4.473886912632048, 2.582999812083518, 1.8290191715541355 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Li", "Zn", "Zn", "Ge" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
[ [ 3.602693, 0, 0 ], [ 0, 3.602693, 0 ], [ 0, 0, 3.422545 ] ]
-9.283969
[ 0, 0, 0, 0 ]
[ [ 0, 0, -0.00016334 ], [ 0, 0, 0.00272296 ], [ 0, 0, 0.00087286 ], [ 0, 0, -0.00343248 ] ]
-0.000004
2.272251
pbe
true
b408f8fd875a8ece5e8c24a559e9c6ba_216_Li1Zn2Ge1
[ "Ge", "Mg", "Ti" ]
4
A2BC
GeMgTi2
Mg1 Ti2 Ge1
3
[ 1, 1, 1 ]
3
[ [ 4.54933325, 0.00049375, 0.00035112 ], [ 2.27509423, 3.93956734, 0.00033982 ], [ 2.27509587, 1.31347864, 3.7142522 ] ]
agm002221347
[ [ 6.824646333280238, 3.940150622145098, 2.7862046810250667 ], [ 2.274879449760379, 1.313384052525355, 0.9287345220887822 ], [ 4.549658010019232, 2.6267110650679037, 1.8574451157125909 ], [ 0.000105780416552, 0.000058603203163400004, 0.00002667728378 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]
[ "Ge", "Mg", "Ti", "Ti" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
[ [ 1.1015579, -0.11055569, -0.07783317 ], [ -0.11055597, 1.2341509, -0.03891751 ], [ -0.07783378, -0.03891708, 1.2358912 ] ]
-22.322865
[ 0, 0, 0, 0 ]
[ [ -0.00000381, 0.00001234, 0.0000094 ], [ 0.0000075, 0.00000831, 0.00000964 ], [ -0.00045408, -0.00027161, -0.00017232 ], [ 0.00045038, 0.00025096, 0.00015328 ] ]
0.000001
5.412271
pbe
true
62b31787582f666cf15d1274aea349d8_225_Mg1Ti2Ge1
[ "Ge", "Mn", "Ni" ]
5
A3BC
GeMnNi3
Mn1 Ni3 Ge1
3
[ 1, 1, 1 ]
3
[ [ 4.31088618, 0, 0 ], [ 0, 4.31088618, 0 ], [ 0, 0, 4.31088618 ] ]
agm002528756
[ [ 0, 2.15544309, 0 ], [ 0, 0, 2.15544309 ], [ 2.15544309, 0, 0 ], [ 0, 0, 0 ], [ 2.15544309, 2.15544309, 2.15544309 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}]
[ "Ni", "Ni", "Ni", "Ge", "Mn" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.6 ]
[ [ -4.451686, 0, 0 ], [ 0, -4.451686, 0 ], [ 0, 0, -4.451686 ] ]
-28.295166
[ 0.12, 0.1, 0.223, -0.003, 4.276 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
4.934715
2.830203
pbe
true
5d6cdd76e969ae05770007ba71fb5852_221_Mn1Ni3Ge1
[ "Ge", "Mn", "O" ]
28
A4B2C
GeMn2O4
Mn8 Ge4 O16
3
[ 1, 1, 1 ]
3
[ [ 5.12300383, 0, 0.00003164 ], [ 0.00000225, 6.38976218, 0 ], [ 0.00001575, 0.00001383, 10.89349312 ] ]
agm003236738
[ [ 2.5615661430646304, 0.00002608430037, 5.446773273841161 ], [ 2.56145456205237, 3.19493273340441, 5.44681684711756 ], [ 2.5169023753134727, 4.792292747599283, 2.411400270910942 ], [ 2.6060477326711577, 1.597412975072057, 8.482168062618578 ], [ 0.00001536901149, 0, 9.492000000000001e-11 ], [ 5.12297934009335, 3.1948427515375597, 0.00011878778676 ], [ 5.078475533405792, 1.5974891269295024, 3.0353966844850944 ], [ 0.044618018616329004, 4.7923316113642676, 7.858095395478506 ], [ 2.8968270975518777, 4.792340525764734, 9.846697957216861 ], [ 0.33537894379340305, 1.5974487890136269, 6.493574430321956 ], [ 2.2261947324323725, 1.5974354842214358, 1.0468159092900196 ], [ 4.787642886172848, 4.792320831196533, 4.3999285426918044 ], [ 3.995070701511551, 4.7923292921410345, 6.03133437563607 ], [ 1.43359300616268, 1.5974600225838045, 10.308909419547698 ], [ 1.1279460054846189, 1.5974467178589655, 4.8621903843322904 ], [ 3.6894288238215696, 4.7923159874023655, 0.584604446959184 ], [ 1.1350512176666447, 4.792321386807384, 9.870576506788057 ], [ 3.696647296483777, 1.5974487586125208, 6.4696491131545635 ], [ 3.987960366287446, 1.5974354538784157, 1.0229264661624236 ], [ 1.4263745335027227, 4.792333641135829, 4.4238647533523165 ], [ 1.155803401880364, 3.0035485966512105, 7.239274287353053 ], [ 3.7172624973112036, 3.386225510441576, 9.100967601512075 ], [ 3.967229664347616, 6.198437914704314, 3.6542286857239876 ], [ 1.4057583424195161, 0.1913351419421514, 1.7925462649948052 ], [ 3.9672286741092964, 3.386221023572779, 3.654239579217107 ], [ 1.405764455679126, 3.0035568893067737, 1.7925462650264452 ], [ 1.1557972886134642, 0.19135087477855497, 7.239263393828293 ], [ 3.717263487553484, 6.198453647554548, 9.100956708018956 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Mn", "Mn", "Mn", "Mn", "Mn", "Mn", "Mn", "Mn", "Ge", "Ge", "Ge", "Ge", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.14285714285714285, 0.2857142857142857, 0.5714285714285714 ]
[ [ 1.198299, 3.4e-7, 0.00000894 ], [ 3.4e-7, 0.9770541, 0.00000135 ], [ 0.00000894, 0.00000135, 1.0658451 ] ]
-205.658418
[ 4.65, 4.65, 4.667, 4.667, 4.65, 4.65, 4.667, 4.667, 0.027, 0.027, 0.027, 0.027, 0.056, 0.056, 0.056, 0.056, 0.05, 0.05, 0.05, 0.05, 0.056, 0.056, 0.056, 0.056, 0.056, 0.056, 0.056, 0.056 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00153153, 0, -0.00281473 ], [ 0.00153153, 0, 0.00281473 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00153152, 0, 0.00281471 ], [ 0.00153152, 0, -0.00281471 ], [ 0.00584205, 1e-8, 0.00433249 ], [ 0.00584204, -1e-8, -0.00433242 ], [ -0.00584205, -1e-8, -0.00433249 ], [ -0.00584204, 1e-8, 0.00433242 ], [ -0.0024252, 0, 0.00278036 ], [ -0.00242521, 0, -0.00278039 ], [ 0.0024252, 0, -0.00278036 ], [ 0.00242521, 0, 0.00278039 ], [ 0.00206876, 0, -0.00121924 ], [ 0.00206876, 0, 0.00121927 ], [ -0.00206876, 0, 0.00121924 ], [ -0.00206876, 0, -0.00121927 ], [ -0.00092159, 0.00330308, 0.00225305 ], [ -0.0009216, -0.00330308, -0.00225306 ], [ 0.0009216, 0.00330307, -0.00225305 ], [ 0.0009216, -0.00330307, 0.00225306 ], [ 0.00092159, -0.00330308, -0.00225305 ], [ 0.0009216, 0.00330308, 0.00225306 ], [ -0.0009216, -0.00330307, 0.00225305 ], [ -0.0009216, 0.00330307, -0.00225306 ] ]
39.999992
-0.01102
pbe
true
326624b3217f8fe2b4c82c66f2a63cfa_62_Mn8Ge4O16
[ "Ge", "Mo", "Pa" ]
10
A2B2C
Ge2Mo2Pa
Pa2 Ge4 Mo4
3
[ 1, 1, 1 ]
3
[ [ 6.95086307, 0.72997353, 0.24777552 ], [ -1.67134169, 6.78630796, 0.24777553 ], [ -2.43749064, -3.47017552, 3.88147291 ] ]
agm003387332
[ [ 3.385421839971092, 2.1538267472487185, 3.2827679685457327 ], [ -0.5433910999710921, 1.8922792227512812, 1.0942559914542669 ], [ -0.9888557967334918, -0.3859696187730387, 3.034992445557419 ], [ 1.880277635020677, 0.18986681023914775, 1.0942559886433052 ], [ 0.9617531049793224, 3.856239159760852, 3.2827679713566944 ], [ 3.830886536733491, 4.4320755887730385, 1.342031514442581 ], [ -1.0110119133695215, 4.87773917020586, 1.9042683935633857 ], [ -0.5983852217694375, 1.9967572036767245, 3.8450048466713267 ], [ 3.8530426533695215, -0.831633200205861, 2.4727555664366143 ], [ 3.4404159617694376, 2.049348766323276, 0.5320191133286732 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}]
[ "Pa", "Pa", "Ge", "Ge", "Ge", "Ge", "Mo", "Mo", "Mo", "Mo" ]
2023-11-16 06:57:59
[ 0.4, 0.4, 0.2 ]
[ [ 2.161172, 0.08176388, -0.00008999 ], [ 0.08176388, 2.2201445, -0.00012813 ], [ -0.00008986, -0.00012793, 2.3086336 ] ]
-79.92986
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ -0.00041002, 0.000288, 0 ], [ 0.00041002, -0.000288, 0 ], [ -0.00024223, 0.00017014, 0 ], [ 0.00006647, -0.00004669, 0 ], [ -0.00006647, 0.00004669, 0 ], [ 0.00024223, -0.00017014, 0 ], [ -0.00187188, 0.00005631, -0.00030792 ], [ 0.00068799, -0.00174177, -0.00030792 ], [ 0.00187188, -0.00005631, 0.00030792 ], [ -0.00068799, 0.00174177, 0.00030792 ] ]
0
8.518324
pbe
true
5d667e5bf2bd761b366c8a8534012f32_15_Pa2Ge4Mo4
[ "Ge", "Mo", "Pb" ]
5
A3BC
GeMo3Pb
Ge1 Mo3 Pb1
3
[ 1, 1, 1 ]
3
[ [ 5.22768765, 0, 0 ], [ 0, 5.22768765, 0 ], [ 0, 0, 5.22768765 ] ]
agm002484709
[ [ 0, 0, 0 ], [ 0, 2.613843825, 0 ], [ 0, 0, 2.613843825 ], [ 2.613843825, 0, 0 ], [ 2.613843825, 2.613843825, 2.613843825 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}]
[ "Pb", "Mo", "Mo", "Mo", "Ge" ]
2023-11-16 06:57:59
[ 0.2, 0.6, 0.2 ]
[ [ 2.9358556, 0, 0 ], [ 0, 2.9358556, 0 ], [ 0, 0, 2.9358556 ] ]
-27.943946
[ -0.056, 2.61, 3.011, 2.388, -0.179 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
9.083581
6.658875
pbe
true
7fdc2194a942319704b2e4ac989e30b2_221_Ge1Mo3Pb1
[ "Ge", "Nd", "Rh" ]
6
A3B2C
Ge3Nd2Rh
Nd2 Ge3 Rh1
3
[ 1, 1, 1 ]
3
[ [ 4.15389197, 0, 0 ], [ 0, 4.31853292, 0 ], [ 0, 0, 7.41832355 ] ]
agm003200677
[ [ 2.076945985, 2.15926646, 0.055395144177857 ], [ 2.076945985, 0, 3.6624817515119186 ], [ 0, 0, 6.208791785121689 ], [ 0, 0, 1.2909809515625936 ], [ 0, 2.15926646, 4.880442438157446 ], [ 0, 2.15926646, 2.447716804468496 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}]
[ "Nd", "Nd", "Ge", "Ge", "Ge", "Rh" ]
2023-11-16 06:57:59
[ 0.5, 0.3333333333333333, 0.16666666666666666 ]
[ [ 2.7455723, 0, 0 ], [ 0, 6.0815096, 0 ], [ 0, 0, 2.2418149 ] ]
-35.492234
[ 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, -0.01718484 ], [ 0, 0, 0.01522601 ], [ 0, 0, 0.01218012 ], [ 0, 0, 0.0059816 ], [ 0, 0, -0.00086613 ], [ 0, 0, -0.01533676 ] ]
-0.000001
2.674712
pbe
true
dc705f71fa0dba5f045082aef6176040_25_Nd2Ge3Rh1
[ "Ge", "Nd", "Te" ]
8
A4B3C
GeNd4Te3
Nd4 Ge1 Te3
3
[ 1, 1, 1 ]
3
[ [ 6.2992345, 0.00006632, 0.00024162 ], [ 0.00006633, 6.2992289, 0.00023238 ], [ 3.14989716, 3.14988536, 6.33319205 ] ]
agm002339778
[ [ 3.157950329375461, 3.1569137356839403, 6.316126697607679 ], [ 6.307633013251245, 6.306544229625779, 6.315991003810377 ], [ 6.307425933652853, 3.1568238577985688, 3.149631416697116 ], [ 3.157826257320714, 6.306336832489874, 3.149626603590294 ], [ 3.157835380630895, 3.1567455461922016, 3.353742896159036 ], [ 6.307453969480935, 6.306452304595153, 2.9445338355423467 ], [ 3.1580346140723226, 6.306945286789343, 6.3161663395289125 ], [ 6.308015892878727, 3.156948220322434, 6.31616975616456 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}]
[ "Ge", "Te", "Te", "Te", "Nd", "Nd", "Nd", "Nd" ]
2023-11-16 06:57:59
[ 0.125, 0.5, 0.375 ]
[ [ 0.4357768, -0.00683719, -0.01794723 ], [ -0.00683737, 0.43747115, -0.01785753 ], [ -0.01794727, -0.01785754, 0.54497063 ] ]
-43.870059
[ 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ -0.00081529, -0.00088542, -0.00095057 ], [ 0.00030997, 0.00035703, -0.00052759 ], [ 0.00060576, 0.00039282, -0.00027426 ], [ 0.00046237, 0.00062995, -0.00027294 ], [ 0.00021649, 0.00025514, 0.00253548 ], [ 0.00018854, 0.00012489, 0.00080049 ], [ 0.00008538, -0.00100196, -0.00065833 ], [ -0.00105321, 0.00012756, -0.00065227 ] ]
-0.000001
3.135115
pbe
true
43880ec6d932ed9e29ef0f90423e2e95_139_Nd4Ge1Te3
[ "Ge", "Ni", "Sc" ]
3
ABC
GeNiSc
Sc1 Ni1 Ge1
3
[ 1, 1, 1 ]
3
[ [ 3.21845157, 0, 0 ], [ 0, 4.13289709, 0 ], [ 0, -2.06644855, 3.57919387 ] ]
agm001258492
[ [ 2.1461179308920486, 2.066448563997819, 1.193064611402687 ], [ 0.5346987711470937, 0, 0 ], [ 0.5376348679608576, -2.399781881843533e-8, 2.386129258597313 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}]
[ "Sc", "Ni", "Ge" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ -2.822705, 0, 0 ], [ 0, -2.9542253, 0 ], [ 0, 0, -2.9542253 ] ]
-19.000839
[ 0, 0, 0 ]
[ [ -0.00181296, 0, 0 ], [ 0.00777364, 0, 0 ], [ -0.00596068, 0, 0 ] ]
0
1.060404
pbe
true
a9750924af31a3cd850ba6f08d808699_187_Sc1Ni1Ge1
[ "Ge", "Ni", "Ta" ]
5
A3BC
Ge3NiTa
Ta1 Ni1 Ge3
3
[ 1, 1, 1 ]
3
[ [ 4.98345319, 0, 0 ], [ 0, 4.98345319, 0 ], [ 0, 0, 4.98345319 ] ]
agm002554696
[ [ 2.491726595, 2.491726595, 2.491726595 ], [ 0, 2.491726595, 0 ], [ 0, 0, 2.491726595 ], [ 2.491726595, 0, 0 ], [ 0, 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": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}]
[ "Ni", "Ge", "Ge", "Ge", "Ta" ]
2023-11-16 06:57:59
[ 0.6, 0.2, 0.2 ]
[ [ -0.46265122, 0, 0 ], [ 0, -0.46265122, 0 ], [ 0, 0, -0.46265122 ] ]
-26.740525
[ 0.761, 0.007, 0.016, 0.002, 0.129 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.967136
8.29982
pbe
true
7c7ac2087bc7a3e0b616d83f40eb76dd_221_Ta1Ni1Ge3
[ "Ge", "O", "Sc" ]
80
A12B5C3
Ge5O12Sc3
Sc12 Ge20 O48
3
[ 1, 1, 1 ]
3
[ [ 10.81378831, 0, 0 ], [ -3.6045961, 10.19533739, 0 ], [ -3.6045961, -5.0976687, 8.82942118 ] ]
agm001250221
[ [ 6.3080431825, 3.1860429337500005, 1.1036776475 ], [ 6.308043183749999, 7.009294455000001, 1.1036776475 ], [ -0.9011490212500004, 4.460460105000001, 5.5183882375 ], [ 0.9011490274999996, -0.6372085887499999, 3.3110329425000002 ], [ 8.110341233749999, -1.2499998813808588e-9, 2.207355295 ], [ 0.9011490287499997, 5.09766869375, 2.207355295 ], [ 2.7034470812499998, -3.7499994220979715e-9, 6.6220658850000005 ], [ -4.505745123750001, 5.09766869125, 6.6220658850000005 ], [ 2.7034470824999994, 5.73487727875, 5.5183882375 ], [ 4.50574513125, 0.6372085850000002, 3.3110329425000002 ], [ -2.7034470737500005, -1.9116257649999997, 7.725743532500001 ], [ -2.7034470725000004, 1.9116257562500003, 7.725743532500001 ], [ -0.9011490237500002, 2.5488343462500005, 2.207355295 ], [ -1.80229805, 5.097668695, 0 ], [ 0, 0, 0 ], [ 2.70344707875, 1.9116257600000002, 1.1036776475 ], [ 3.6045961049999997, -2.54883435, 4.41471059 ], [ 3.6045961049999997, 5.097668695, 0 ], [ -2.7034470737500005, 5.734877280000001, 3.3110329425000002 ], [ 4.5057451324999995, -3.18604293875, 7.725743532500001 ], [ 4.5057451324999995, 4.46046010625, 3.3110329425000002 ], [ 0.9011490287499995, -2.54883435125, 6.6220658850000005 ], [ 2.7034470812499998, 7.64650304125, 2.207355295 ], [ 1.8022980549999996, 2.5488343450000004, 4.41471059 ], [ 5.406894155, 0, 0 ], [ -1.80229805, -2.54883435, 4.41471059 ], [ -0.9011490225000003, 0.6372085837500006, 5.5183882375 ], [ -0.9011490225000003, 8.28371162875, 1.1036776475 ], [ -3.6045961, 2.5488343450000004, 4.41471059 ], [ 6.308043183749998, -0.6372085899999997, 5.5183882375 ], [ 0.901149031249999, 3.186042930000001, 7.725743532500001 ], [ 4.505745133749999, 2.5488343437500003, 6.6220658850000005 ], [ 7.276553169012222, 1.1974685273148213, 0.31977346928603584 ], [ -0.06736095865005506, 3.4245005570993188, 3.5375591595866913 ], [ 8.135810013025836, 2.339998968349702, 2.3825742753749823 ], [ 4.4802763519741635, 1.6554639828185502, 1.1969248996993447 ], [ 1.2965335725588423, 3.9067100908646664, 6.127073435338982 ], [ 7.562684567928064, 5.12188277326162, 1.7123628453389825 ], [ -0.9266178003273875, 5.782203679175543, 3.579499175074327 ], [ -2.6779782956185545, 8.53987340582584, 1.1969248996993447 ], [ 0.5057644893805415, 6.288627292195953, 6.127073435338982 ], [ 5.053401799011318, 5.073454614798999, 1.7123628453389825 ], [ 5.339533195987777, 2.870636661571113, 3.2177856903006554 ], [ 5.3395331963499455, 8.997868862323012, 0.31977346928603584 ], [ -3.0988316152572906, 4.710721942778342, 4.734484059286036 ], [ 2.155790411934622, 3.6026119303691266, 0.8352114149256734 ], [ -3.537235137343387, 7.324700724784497, 3.2177856903006554 ], [ 1.734937092343386, -1.6731681388941235, 5.291862020413309 ], [ -0.5057644824411588, 0.8040118499742933, 2.032136314625018 ], [ 2.1557904129280643, 6.568511379429871, 0.8771514304133089 ], [ 4.480276354672613, 7.85533841895185, 2.3825742753749823 ], [ -0.35349235693462244, 3.6268260095766878, 0.8771514304133089 ], [ -2.30806252974271, 5.901680542275845, 6.797284865374983 ], [ 2.7289158593814453, 4.4131337067704, 3.579499175074327 ], [ 4.901129675619457, 5.48461544185949, 4.734484059286036 ], [ 3.9580884659886815, -1.4950567686849316, 7.994209765074327 ], [ 0.8756802506185536, 0.6845349832296007, 5.249922004925674 ], [ -1.2965335656194588, -0.38694675185948973, 4.094937120713965 ], [ -0.353492355988681, 6.5927254586849315, 0.8352114149256734 ], [ -0.875680244672613, -2.757669728951849, 6.446846904625018 ], [ 5.91265863974271, -0.804011852275844, 2.032136314625018 ], [ 3.9580884669346212, 1.4708426804233141, 7.952269749586692 ], [ 1.4488056970719352, -1.470842689429871, 7.952269749586692 ], [ 1.8696590176566141, 6.770836828894125, 3.5375591595866913 ], [ 4.110360592441157, 4.293656840025707, 6.797284865374983 ], [ 7.141831247343386, -2.2270320347844965, 5.611635489699345 ], [ 6.70342772525729, 0.38694674722165817, 4.094937120713965 ], [ -1.7349370863499454, -3.9002001723230104, 8.509647710713965 ], [ 1.448805698065377, 1.4950567596308746, 7.994209765074327 ], [ 3.098831620619458, -1.1909586021959508, 2.702347744661018 ], [ -1.4488056890113197, 0.024214075201002515, 7.117058334661019 ], [ -1.7349370859877773, 2.2270320284288876, 5.611635489699345 ], [ 6.282574405618554, -3.44220471582584, 7.632496280300656 ], [ 4.531213910327386, -0.684534989175542, 5.249922004925674 ], [ -0.8756802419741645, 3.442204707181451, 7.632496280300656 ], [ -3.958088457928064, -0.024214083261619536, 7.117058334661019 ], [ 2.3080625374411587, 1.1909585991353342, 2.702347744661018 ], [ -4.531213903025836, 2.7576697216502986, 6.446846904625018 ], [ 3.671957068650054, 1.6731681329006822, 5.291862020413309 ], [ -3.6719570590122235, 3.90020016268518, 8.509647710713965 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}]
[ "Sc", "Sc", "Sc", "Sc", "Sc", "Sc", "Sc", "Sc", "Sc", "Sc", "Sc", "Sc", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "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
[ 0.25, 0.6, 0.15 ]
[ [ 0.6676635, 0, 0 ], [ 0, 0.6676635, 0 ], [ 0, 0, 0.6676635 ] ]
-563.689684
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00075689, 0.00304171, -0.00426741 ], [ -0.00075689, -0.00217483, -0.0047679 ], [ 0.0051705, -0.00094606, 0.00063764 ], [ -0.0051705, -0.00102524, 0.00050049 ], [ -0.00261545, -0.00283193, 0.00362977 ], [ 0.00179815, 0.00340985, 0.00362977 ], [ -0.0051705, 0.00007918, 0.00113813 ], [ 0.0051705, 0.00102524, 0.00050049 ], [ 0.00261545, 0.00283193, 0.00362977 ], [ -0.00179815, -0.00340985, 0.00362977 ], [ -0.00075689, 0.00521654, -0.00050049 ], [ -0.00075689, -0.00304171, -0.00426741 ], [ 0.00261545, 0.00172751, -0.00426741 ], [ 0.00179815, -0.0048484, -0.00113813 ], [ 0.00075689, -0.00521654, -0.00050049 ], [ -0.00075689, -0.00217483, 0.0047679 ], [ -0.00261545, 0.00455944, -0.00063764 ], [ 0.00179815, 0.00143855, 0.0047679 ], [ -0.0051705, 0.00094606, 0.00063764 ], [ -0.00179815, -0.00143855, 0.0047679 ], [ -0.00261545, 0.00455944, 0.00063764 ], [ 0.0051705, -0.00007918, 0.00113813 ], [ -0.00261545, -0.00172751, -0.00426741 ], [ 0.00179815, -0.0048484, 0.00113813 ], [ -0.0051705, 0.00007918, -0.00113813 ], [ 0.00261545, 0.00172751, 0.00426741 ], [ -0.00179815, 0.0048484, -0.00113813 ], [ 0.0051705, -0.00094606, -0.00063764 ], [ 0.00261545, -0.00455944, -0.00063764 ], [ 0.00179815, 0.00143855, -0.0047679 ], [ -0.00179815, -0.00143855, -0.0047679 ], [ 0.00075689, 0.00217483, -0.0047679 ], [ 0.00261545, -0.00455944, 0.00063764 ], [ -0.00075689, 0.00521654, 0.00050049 ], [ -0.00261545, -0.00172751, 0.00426741 ], [ 0.00075689, 0.00304171, 0.00426741 ], [ -0.00179815, 0.0048484, 0.00113813 ], [ -0.00261545, -0.00283193, -0.00362977 ], [ 0.00179815, 0.00340985, -0.00362977 ], [ 0.00075689, -0.00521654, 0.00050049 ], [ -0.0051705, -0.00102524, -0.00050049 ], [ 0.0051705, -0.00007918, -0.00113813 ], [ 0.0051705, 0.00102524, -0.00050049 ], [ -0.00179815, -0.00340985, -0.00362977 ], [ 0.00261545, 0.00283193, -0.00362977 ], [ -0.0051705, 0.00094606, -0.00063764 ], [ 0.00075689, 0.00217483, 0.0047679 ], [ -0.00075689, -0.00304171, 0.00426741 ] ]
-0.000062
7.41814
pbe
true
e7313dbc71fbde661b7c14bd83440471_230_Sc12Ge20O48
[ "Ge", "Os", "Pr" ]
9
ABC
GeOsPr
Pr3 Ge3 Os3
3
[ 1, 1, 1 ]
3
[ [ 3.94063689, 0, 0 ], [ 0, 7.32386964, 0 ], [ 0, -3.66193482, 6.34265717 ] ]
agm002277990
[ [ 0, 0.701330607462455, 6.34265717 ], [ 0, 1.4803021062687725, 2.563958461743383 ], [ 0, 5.142236926268772, 3.778698708256617 ], [ 1.970318445, -3.6619348422972517e-8, 4.228438134475524 ], [ 0, 0, 0 ], [ 1.970318445, 3.6619348566193484, 2.114219035524476 ], [ 1.970318445, -0.8578733774054478, 1.4858802779435543 ], [ 1.970318445, 1.7157467548108956, 0 ], [ 1.970318445, 2.804061442594552, 4.856776892056446 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}]
[ "Pr", "Pr", "Pr", "Ge", "Ge", "Ge", "Os", "Os", "Os" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 0.10904411, 0, 0 ], [ 0, 3.069323, 0 ], [ 0, 0, 3.069323 ] ]
-64.414481
[ 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, -0.01739525, 0 ], [ 0, 0.00869763, 0.01506473 ], [ 0, 0.00869763, -0.01506473 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, -0.0184112, 0.03188914 ], [ 0, 0.03682241, 0 ], [ 0, -0.0184112, -0.03188914 ] ]
0
4.515176
pbe
true
5c1949d38e327cc17b60717e026ea34f_189_Pr3Ge3Os3
[ "Ge", "Os", "Zr" ]
5
A2B2C
Ge2OsZr2
Zr2 Ge2 Os1
3
[ 1, 1, 1 ]
3
[ [ 3.94667919, 0, 0 ], [ 1.9733396, 4.95631049, 0.14021059 ], [ 1.9733396, 1.77206212, 4.63081726 ] ]
agm003404209
[ [ 5.920018792088649, 4.769506908215485, 3.382013988946351 ], [ 1.9733395979113515, 1.9588657017845155, 1.3890138610536489 ], [ 3.946679195, 4.086066555348294, 1.367477675787655 ], [ 3.9466791949999998, 2.642306054651705, 3.4035501742123446 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}]
[ "Zr", "Zr", "Ge", "Ge", "Os" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.4 ]
[ [ 3.2189498, 0, 0 ], [ 0, 3.2875013, -0.10087425 ], [ 0, -0.10087425, 3.3582308 ] ]
-40.594718
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0.0002454, 0.00017401 ], [ 0, -0.0002454, -0.00017401 ], [ 0, -0.00370515, 0.00522522 ], [ 0, 0.00370515, -0.00522522 ], [ 0, 0, 0 ] ]
-0.000001
3.166032
pbe
true
03517fab8fbee62ae0d4df3fcb966828_71_Zr2Ge2Os1
[ "Ge", "Pd", "Sr" ]
10
A3BC
Ge3PdSr
Sr2 Ge6 Pd2
3
[ 1, 1, 1 ]
3
[ [ 4.75648661, 0, 0 ], [ 0, 6.12780331, 0 ], [ -2.37824331, 0, 7.74923943 ] ]
agm003715659
[ [ 2.378243277044556, 4.5958524825, 6.467531734157986 ], [ 2.2955443639589425e-8, 1.5319508275, 1.2817076958420142 ], [ 2.3782432790953867, 0.1802764192542802, 3.2890557992495086 ], [ 2.0904612674576503e-8, 5.94752689074572, 4.460183630750492 ], [ 2.0904612674576503e-8, 3.24417807425428, 4.460183630750492 ], [ 2.3782432790953867, 2.88362523574572, 3.2890557992495086 ], [ 0.0000024007579886401807, 4.5958524825, 1.9648184950905858 ], [ 2.378240899242011, 1.5319508275, 5.784420934909415 ], [ 2.378245682423058, 4.5958524825, 1.271257768978265 ], [ -0.0000023824230582959205, 1.5319508275, 6.477981661021735 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]
[ "Sr", "Sr", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Pd", "Pd" ]
2023-11-16 06:57:59
[ 0.6, 0.2, 0.2 ]
[ [ 3.167035, 0, 0 ], [ 0, 3.5454316, 0 ], [ 0, 0, 3.4970143 ] ]
-43.940722
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0.00096687 ], [ 0, 0, -0.00096687 ], [ 0, -0.00746881, 0.00161118 ], [ 0, 0.00746881, -0.00161118 ], [ 0, -0.00746881, -0.00161118 ], [ 0, 0.00746881, 0.00161118 ], [ 0, 0, -0.00330606 ], [ 0, 0, 0.00330606 ], [ 0, 0, -0.00313506 ], [ 0, 0, 0.00313506 ] ]
0.000002
5.278845
pbe
true
4350a2973b155418be1a92c8d0aed87b_63_Sr2Ge6Pd2
[ "Ge", "Pm", "Te" ]
9
A6B2C
GePm6Te2
Pm6 Ge1 Te2
3
[ 1, 1, 1 ]
3
[ [ 4.21427982, 0, 0 ], [ 0, 8.52150186, 0 ], [ 0, -4.26075093, 7.38036779 ] ]
agm003500864
[ [ 2.10713991, 0.7715593603843285, 7.38036779 ], [ 2.10713991, 1.7452637427311317, 3.022875689856619 ], [ 2.10713991, -2.5154871872688687, 4.357492100143382 ], [ 0, 2.0993743264483387, 0 ], [ 0, 3.2111247807291488, 5.5614103890774915 ], [ 0, -1.0496261492708518, 1.818957400922509 ], [ 2.10713991, 4.2597476935860215, 7.38036779 ], [ 0, -0.00008670628142543307, 4.920310312778468 ], [ 0, 4.260664223718575, 2.460057477221533 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}]
[ "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Ge", "Te", "Te" ]
2023-11-16 06:57:59
[ 0.1111111111111111, 0.6666666666666666, 0.2222222222222222 ]
[ [ 0.8578753, 0, 0 ], [ 0, 0.8533301, 0 ], [ 0, 0, 0.8367845 ] ]
-47.007962
[ 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, -0.00048845, 0 ], [ 0, -0.00169278, -0.00174911 ], [ 0, -0.00169278, 0.00174911 ], [ 0, 0.00242794, 0 ], [ 0, -0.00154932, -0.0005837 ], [ 0, -0.00154932, 0.0005837 ], [ 0, 0.00118693, 0 ], [ 0, 0.00167889, 0.00168078 ], [ 0, 0.00167889, -0.00168078 ] ]
0.001223
11.587153
pbe
true
86f1f383ef111c21ae9c9c9f5cb8a355_189_Pm6Ge1Te2
[ "Ge", "Pu", "Tb" ]
3
ABC
GePuTb
Ge1 Pu1 Tb1
3
[ 1, 1, 1 ]
3
[ [ 0, 3.477572, 3.477572 ], [ 3.477572, 0, 3.477572 ], [ 3.477572, 3.477572, 0 ] ]
oqmd-3355768
[ [ 0, 0, 0 ], [ 1.7387899999999978, 1.7387899999999978, 1.7387899999999978 ], [ 5.2163600000000026, 5.2163600000000026, 5.2163600000000026 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}]
[ "Ge", "Pu", "Tb" ]
2024-11-01 00:00:00
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 8.17472, 0, 0 ], [ 0, 8.17472, 0 ], [ 0, 0, 8.17472 ] ]
-24.3864
[ 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
6.45145
null
pbe
true
b4bfb38f8dd865bf2d7968873561d1bd_216_Tb1Pu1Ge1
[ "Ge", "Rb", "Sc" ]
6
ABC
GeRbSc
Rb2 Sc2 Ge2
3
[ 1, 1, 1 ]
3
[ [ 5.31769847, 0.02561474, -0.00281272 ], [ 0.23799813, 9.8525596, -0.05973873 ], [ -1.18040376, -0.0025904, 5.06032009 ] ]
agm003141944
[ [ 0.5557236938628918, 6.361143737885057, 0.8610637611264762 ], [ 3.1119193729083596, 7.376440275590262, 3.0404360608911127 ], [ 3.2546703991335777, 6.710577363107382, 0.43951160915736176 ], [ 0.41376630836727885, 7.021749105191941, 3.462946873923858 ], [ 0.6685694688628948, 0.13326899697363362, 0.7371197265835977 ], [ 2.741753585547859, 3.753715550930175, 3.232769845982768 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}]
[ "Sc", "Sc", "Ge", "Ge", "Rb", "Rb" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 0.830646, -0.08376445, -0.09001363 ], [ -0.08376431, 0.5196359, -0.01604867 ], [ -0.09001312, -0.01604821, 0.6923839 ] ]
-24.603189
[ 0, 0, 0, 0, 0, 0 ]
[ [ 0.00395757, -0.00418298, -0.00389966 ], [ 0.00044975, -0.00065809, 0.00754853 ], [ 0.00353427, -0.00073596, -0.00373891 ], [ -0.0111044, 0.0100574, 0.00006812 ], [ 0.00074883, -0.00202814, -0.00124747 ], [ 0.00241398, -0.00245222, 0.0012694 ] ]
0.000006
4.996034
pbe
true
04691cd5505a49e5a760b95f45ece366_1_Rb2Sc2Ge2
[ "Ge", "Rh", "Th" ]
11
A6B4C
Ge6Rh4Th
Th1 Ge6 Rh4
3
[ 1, 1, 1 ]
3
[ [ 6.64415063, -0.00014364, -0.00118473 ], [ -0.00014364, 6.64415063, -0.00118473 ], [ -3.32280028, -3.32280028, 4.53099178 ] ]
agm002279208
[ [ 2.142100596261962, 4.501450622417482, 1.700794800507567 ], [ 4.501450622417483, 2.142100596261962, 1.700794800507567 ], [ -1.180557080029038, -1.180557080029038, 2.8285242505904336 ], [ 3.3228813043436345, -0.000042548656529400004, -0.0005246574346466001 ], [ 1.178834934560543, 1.178834934560543, 2.8271672352448394 ], [ -0.000042548656529400004, 3.322881304343634, -0.0005246574346466001 ], [ 1.1994393132866326, -1.2006853515020812, 3.6692207998309105 ], [ 2.1210200884019543, 2.1210200884019543, 0.8595722468040335 ], [ -1.2006853515020814, 1.1994393132866326, 3.6692207998309105 ], [ 4.521089762434475, 4.521089762434475, 0.8589993294698942 ], [ 3.3205587221814565, 3.3205587221814565, 4.528610139422117 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}]
[ "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Rh", "Rh", "Rh", "Rh", "Th" ]
2023-11-16 06:57:59
[ 0.5454545454545454, 0.36363636363636365, 0.09090909090909091 ]
[ [ 7.1661334, 0.00856758, 0.02119239 ], [ 0.00856758, 7.1661334, 0.02119239 ], [ 0.02119069, 0.02119069, 7.324196 ] ]
-70.891834
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ -0.00382689, 0.00288729, 0.00201486 ], [ 0.00288729, -0.00382689, 0.00201486 ], [ -0.00290631, -0.00290631, -0.00161116 ], [ -0.00004252, -0.00070149, -0.00010618 ], [ 0.00365647, 0.00365647, -0.00210326 ], [ -0.00070149, -0.00004252, -0.00010618 ], [ 0.0008005, -0.00092635, 0.00191278 ], [ -0.00031275, -0.00031275, -0.00239171 ], [ -0.00092635, 0.0008005, 0.00191278 ], [ 0.00062594, 0.00062594, -0.00174272 ], [ 0.00074611, 0.00074611, 0.00020594 ] ]
-0
3.754862
pbe
true
83b5bbe59b73f327ad6bed7511e69e73_121_Th1Ge6Rh4
[ "Ge", "Ru", "Th" ]
24
A3B2C
Ge2RuTh3
Th12 Ge8 Ru4
3
[ 1, 1, 1 ]
3
[ [ 4.30788353, 0, 0 ], [ 0, 11.71404753, 0 ], [ 0, 0, 11.95771736 ] ]
agm005732080
[ [ 1.0769708825, 4.328400069696452, 0.6149720111813568 ], [ 3.2309126475, 7.385647460303547, 11.342745348818644 ], [ 3.2309126475, 10.185423834696453, 5.363886668818643 ], [ 1.0769708825, 1.5286236953035475, 6.593830691181357 ], [ 1.0769708825, 8.190061763971899, 2.6614753096042096 ], [ 3.2309126475, 3.5239857660281, 9.29624205039579 ], [ 3.2309126475, 2.3330379989719, 3.3173833703957905 ], [ 1.0769708825, 9.3810095310281, 8.64033398960421 ], [ 1.0769708825, 5.187616319064879, 4.513524958593735 ], [ 3.2309126475, 6.526431210935121, 7.444192401406266 ], [ 3.2309126475, 11.044640084064879, 1.4653337214062647 ], [ 1.0769708825, 0.669407445935121, 10.492383638593735 ], [ 1.0769708825, 8.047065925823208, 5.826749101396037 ], [ 3.2309126475, 3.666981604176791, 6.130968258603962 ], [ 3.2309126475, 2.1900421608232086, 0.1521095786039632 ], [ 1.0769708825, 9.524005369176791, 11.805607781396038 ], [ 1.0769708825, 11.664279110523568, 3.7432534085482883 ], [ 3.2309126475, 0.0497684194764333, 8.214463951451712 ], [ 3.2309126475, 5.807255345523567, 2.235605271451712 ], [ 1.0769708825, 5.9067921844764335, 9.722112088548288 ], [ 1.0769708825, 1.4960157697561878, 1.5773983394976714 ], [ 3.2309126475, 10.218031760243813, 10.380319020502329 ], [ 3.2309126475, 7.353039534756188, 4.401460340502329 ], [ 1.0769708825, 4.3610079952438126, 7.5562570194976715 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}]
[ "Th", "Th", "Th", "Th", "Th", "Th", "Th", "Th", "Th", "Th", "Th", "Th", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ru", "Ru", "Ru", "Ru" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.16666666666666666, 0.5 ]
[ [ 1.3643328, 0, 0 ], [ 0, 1.2509632, 0 ], [ 0, 0, 1.4263213 ] ]
-179.669784
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, -0.00521853, 0.00226664 ], [ 0, 0.00521853, -0.00226664 ], [ 0, -0.00521853, -0.00226664 ], [ 0, 0.00521853, 0.00226664 ], [ 0, -0.00441775, 0.00001979 ], [ 0, 0.00441775, -0.00001979 ], [ 0, -0.00441775, -0.00001979 ], [ 0, 0.00441775, 0.00001979 ], [ 0, 0.00344179, 0.00115807 ], [ 0, -0.00344179, -0.00115807 ], [ 0, 0.00344179, -0.00115807 ], [ 0, -0.00344179, 0.00115807 ], [ 0, 0.00003416, -0.00140748 ], [ 0, -0.00003416, 0.00140748 ], [ 0, 0.00003416, 0.00140748 ], [ 0, -0.00003416, -0.00140748 ], [ 0, 0.00509714, 0.0025783 ], [ 0, -0.00509714, -0.0025783 ], [ 0, 0.00509714, -0.0025783 ], [ 0, -0.00509714, 0.0025783 ], [ 0, -0.00075977, 0.00213751 ], [ 0, 0.00075977, -0.00213751 ], [ 0, -0.00075977, -0.00213751 ], [ 0, 0.00075977, 0.00213751 ] ]
0.000011
22.120718
pbe
true
a47d3c4535c534ec1953b37c3cd11f7a_62_Th12Ge8Ru4
[ "Ge", "Ru", "Zn" ]
8
A2BC
GeRuZn2
Zn4 Ge2 Ru2
3
[ 1, 1, 1 ]
3
[ [ 7.29477878, 0, 0 ], [ 0, 7.29477878, 0 ], [ 3.64738939, 3.64738939, 2.48972073 ] ]
agm002904058
[ [ 0, 0, 0 ], [ 7.29477878, 3.64738939, 1.244860365 ], [ 3.64738939, 3.64738939, 0 ], [ 3.64738939, 7.29477878, 1.244860365 ], [ 5.557317926339802, 1.823694695, 0.6224301825 ], [ 1.737460853660198, 5.471084085, 0.6224301825 ], [ 5.471084084999999, 5.384850243660198, 1.8672905475000001 ], [ 9.118473475, 9.204707316339801, 1.8672905475000001 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Ru", "Ru", "Ge", "Ge", "Zn", "Zn", "Zn", "Zn" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
[ [ -5.1221766, 0, 0 ], [ 0, -5.1221766, 0 ], [ 0, 0, -16.649693 ] ]
-30.412899
[ 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.04028631, 0, 0 ], [ -0.04028631, 0, 0 ], [ 0, -0.04028631, 0 ], [ 0, 0.04028631, 0 ] ]
0.000036
6.692949
pbe
true
8f03b0894680e9c91ca08a209615826a_122_Zn4Ge2Ru2
[ "Ge", "Sn", "Ti" ]
5
A3BC
GeSn3Ti
Ti1 Sn3 Ge1
3
[ 1, 1, 1 ]
3
[ [ 5.24664892, 0, 0 ], [ 0, 5.24664892, 0 ], [ 0, 0, 5.24664892 ] ]
agm002614964
[ [ 0, 0, 0 ], [ 0, 2.62332446, 0 ], [ 0, 0, 2.62332446 ], [ 2.62332446, 0, 0 ], [ 2.62332446, 2.62332446, 2.62332446 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]
[ "Ge", "Sn", "Sn", "Sn", "Ti" ]
2023-11-16 06:57:59
[ 0.2, 0.6, 0.2 ]
[ [ 2.9995887, 0, 0 ], [ 0, 2.9995887, 0 ], [ 0, 0, 2.9995887 ] ]
-20.050232
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000024
11.642611
pbe
true
167ae4e2651c1269a4bc9122868cbfd0_221_Ti1Sn3Ge1
[ "Ge", "Sr", "Tl" ]
3
ABC
GeSrTl
Sr1 Tl1 Ge1
3
[ 1, 1, 1 ]
3
[ [ 5.15565126, 0, 0 ], [ 2.57782563, 4.46492497, 0 ], [ 2.57782563, 1.48830832, 4.20957163 ] ]
agm001235113
[ [ 0, 0, 0 ], [ 5.15565126, 2.976616645, 2.104785815 ], [ 2.57782563, 1.4883083225, 1.0523929075 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]
[ "Sr", "Tl", "Ge" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 2.0793886, 0, 0 ], [ 0, 2.0793886, 0 ], [ 0, 0, 2.0793886 ] ]
-9.496311
[ 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000002
1.157202
pbe
true
9dac894005f2216d9d248a456ed9bf3f_216_Sr1Tl1Ge1
[ "Ge", "Ta", "V" ]
9
A6B2C
Ge6TaV2
Ta1 V2 Ge6
3
[ 1, 1, 1 ]
3
[ [ 4.9024148, -0.00007251, 0 ], [ -2.4512652, 4.22117086, 0 ], [ 0, 0, 6.68617858 ] ]
agm005824527
[ [ 2.4512074, -0.000036255, 6.686171893821419 ], [ -1.2256326, 2.11058543, 4.478877332148538 ], [ 1.2255748, 2.110549175, 2.2073079340300428 ], [ 2.451168747146728, 2.8245721410589524, 0 ], [ 1.206992695020588, 0.7261990195269004, 4.417109946393997 ], [ 3.6954120461450835, 0.7261621719258615, 2.269068633606003 ], [ -0.000019147146727984758, 1.3965262089410477, 0 ], [ 1.244156904979412, 3.4948993304730998, 4.417109946393997 ], [ -1.244262446145084, 3.494936178074138, 2.269068633606003 ] ]
[{"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": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]
[ "Ta", "V", "V", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge" ]
2023-11-16 06:57:59
[ 0.6666666666666666, 0.1111111111111111, 0.2222222222222222 ]
[ [ 6.3165007, -0.00017658, 0 ], [ -0.00017658, 6.073532, 0 ], [ 0, 0, 6.216122 ] ]
-59.428496
[ 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, -0.00441582 ], [ 0, 0, 0.00441582 ], [ -3e-8, 0.0021188, 0 ], [ 0.00308004, 0.00455055, 0.00169591 ], [ -0.00308017, 0.00455064, -0.00169591 ], [ 3e-8, -0.0021188, 0 ], [ -0.00308004, -0.00455055, 0.00169591 ], [ 0.00308017, -0.00455064, -0.00169591 ] ]
-0.000028
4.953673
pbe
true
55b791299fbac54a82cb182c38452722_21_Ta1V2Ge6
[ "Ge", "Tb", "Te" ]
12
A6B5C
GeTb6Te5
Tb6 Ge1 Te5
3
[ 1, 1, 1 ]
3
[ [ 7.45708876, 0.17165331, 1.12735126 ], [ 1.82856031, 6.32440149, 3.68644268 ], [ 0.12563957, 0.07554496, 7.52982123 ] ]
agm006119968
[ [ 0, 0, 0 ], [ 4.130043865686257, 1.2410585459368344, 6.104363091311872 ], [ 8.111781952356335, 2.3178577358843464, 4.8423681182681 ], [ 4.642824535, 3.2480274, 2.40689697 ], [ 1.2995066876436654, 4.2537420241156525, 7.5012470517319 ], [ 5.281244774313744, 5.330541214063166, 6.239252078688128 ], [ 5.909405227987713, 0.6351571286432537, 3.4727928686086873 ], [ 2.888899181170813, 3.953482246274104, 4.855065839860225 ], [ 2.3148214339278974, 1.549423312354842, 8.63343882757959 ], [ 7.096467206072104, 5.022176447645157, 3.7101763424204086 ], [ 6.522389458829187, 2.618117513725896, 7.488549330139775 ], [ 3.501883412012287, 5.936442631356745, 8.870822301391312 ] ]
[{"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": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}]
[ "Ge", "Te", "Te", "Te", "Te", "Te", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb" ]
2023-11-16 06:57:59
[ 0.08333333333333333, 0.5, 0.4166666666666667 ]
[ [ 0.25437373, -0.11142025, -0.07013695 ], [ -0.11142025, 0.27379572, -0.04271294 ], [ -0.07013695, -0.04271294, 0.2911074 ] ]
-63.992945
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ -0.00007723, -0.00030225, 0.00055684 ], [ 0.00011324, 0.00044321, -0.00081653 ], [ 0, 0, 0 ], [ -0.00011324, -0.00044321, 0.00081653 ], [ 0.00007723, 0.00030225, -0.00055684 ], [ -0.00143201, 0.00141211, -0.00105484 ], [ 0.00177458, -0.00007132, -0.00141533 ], [ -0.00143085, -0.0008697, -0.00067051 ], [ 0.00143085, 0.0008697, 0.00067051 ], [ -0.00177458, 0.00007132, 0.00141533 ], [ 0.00143201, -0.00141211, 0.00105484 ] ]
-0.000012
5.910843
pbe
true
9835deeecd3e93b6d4101c94c314bf5b_12_Tb6Ge1Te5
[ "Ge", "Th", "Tm" ]
7
A3B2C2
Ge3Th2Tm2
Tm2 Th2 Ge3
3
[ 1, 1, 1 ]
3
[ [ 4.29960506, -0.00363598, 0.00161319 ], [ -2.14153958, 6.7956917, -0.12366605 ], [ -0.00303068, -1.15196717, 6.93139061 ] ]
agm003304260
[ [ 2.153232541637125, 4.324310803705667, 4.270899910634528 ], [ 0.0018022583628758834, 1.3157777462943323, 2.5384378393654727 ], [ 2.1494501832443103, 0.6857249125493045, 5.943335168641793 ], [ 0.00558461675569022, 4.954363637450696, 0.866002581358207 ], [ 0, 0, 0 ], [ 2.1530834557443876, 3.0301102693871305, 1.724413484798418 ], [ 0.0019513442556124904, 2.6099782806128697, 5.0849242652015825 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}]
[ "Tm", "Tm", "Th", "Th", "Ge", "Ge", "Ge" ]
2023-11-16 06:57:59
[ 0.42857142857142855, 0.2857142857142857, 0.2857142857142857 ]
[ [ 0.99421674, 0.02791736, -0.00637109 ], [ 0.02791734, 0.97856003, 0.05327818 ], [ -0.00637107, 0.05327813, 1.1211767 ] ]
-41.625865
[ 0, 0, 0, 0, 0, 0, 0 ]
[ [ -0.00107, -0.00242903, -0.0001742 ], [ 0.00107, 0.00242903, 0.0001742 ], [ -0.0008513, 0.00167608, 0.00305747 ], [ 0.0008513, -0.00167608, -0.00305747 ], [ 0, 0, 0 ], [ 0.00110576, 0.00162273, -0.00298329 ], [ -0.00110576, -0.00162273, 0.00298329 ] ]
0.000429
5.471517
pbe
true
7766c4124f10ea03a9780c8d2d23b22e_12_Tm2Th2Ge3
[ "H", "Ho", "Pu" ]
11
A8B2C
H8HoPu2
Ho1 Pu2 H8
3
[ 1, 1, 1 ]
3
[ [ 3.59013003, 2e-8, -1.09262741 ], [ -0.74737267, 4.32380663, -2.45569991 ], [ -0.01437156, 0.70697235, 6.39728057 ] ]
agm005936046
[ [ 1.795065015, 1e-8, -0.546313705 ], [ 0.13055240830226317, 3.1900710995545754, 0.4289679367126512 ], [ 2.697833406069297, 1.8407071934730745, 2.4199789160067793 ], [ 1.6730158885281003, 4.057818300164259, -0.9473448058157369 ], [ 0.8018895098778369, 3.017899722708423, 2.634840291505025 ], [ 0.4960693430485876, 1.011387644641114, 1.6299750335608654 ], [ -0.19787271757514507, 1.144783396534294, -0.6501656191586422 ], [ 2.3323164713229723, 4.019390648386536, 1.2189718191585657 ], [ 2.0264926999921333, 2.0128792772915567, 0.2141140511223858 ], [ 1.1553699114718996, 0.972960699835741, 3.796298055815737 ], [ 3.0262585319467052, 3.8859948964933557, 3.4991124718780733 ] ]
[{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}]
[ "Ho", "Pu", "Pu", "H", "H", "H", "H", "H", "H", "H", "H" ]
2023-11-16 06:57:59
[ 0.7272727272727273, 0.09090909090909091, 0.18181818181818182 ]
[ [ 16.783548, -0.06770125, -0.22287804 ], [ -0.06770125, 16.30475, -0.22244379 ], [ -0.22287804, -0.22244379, 16.119064 ] ]
-65.423267
[ 0.121, 5.188, 5.188, -0.021, -0.021, -0.027, -0.015, -0.027, -0.021, -0.021, -0.015 ]
[ [ 0, 0, 0 ], [ -0.00005493, -0.00011199, -0.00018047 ], [ 0.00005493, 0.00011199, 0.00018047 ], [ 0.00092734, -0.0021785, 0.00304702 ], [ 0.00011284, -0.00383926, 0.00037076 ], [ 0.00068558, 0.00139788, 0.00225265 ], [ -0.001273, 0.00736473, -0.00418279 ], [ -0.00068558, -0.00139788, -0.00225265 ], [ -0.00011284, 0.00383926, -0.00037076 ], [ -0.00092734, 0.0021785, -0.00304702 ], [ 0.001273, -0.00736473, 0.00418279 ] ]
10.81193
13.4849
pbe
true
5bf341650086a140136dbc3f5dd0b2c8_71_Ho1Pu2H8
[ "H", "I", "O" ]
12
A4BC
HIO4
H2 I2 O8
3
[ 1, 1, 1 ]
3
[ [ 15.34042821, 0.00000343, 7.03186694 ], [ 7.67021676, 3.71698301, 3.51593773 ], [ 6.12140624, 0.00000418, 6.89485846 ] ]
agm005800011
[ [ 11.200933138982798, 0.0000090327210474, 9.223248127988118 ], [ 8.140231346477488, 1.8584901562584575, 5.7758210279796 ], [ 23.587887007945614, 3.716989380365351, 14.901281158529937 ], [ 12.856968455445617, 1.8584949278653509, 7.937916328529938 ], [ 12.183836031667555, 2.855944206481493, 6.532116491055601 ], [ 17.939826991013685, 2.6837709614349143, 9.359994469012976 ], [ 8.291878639884787, 0.9974602259080162, 4.8981508599991495 ], [ 14.191409654118825, 0.8252793185453299, 7.413018955530057 ], [ 22.914737818803342, 2.719538291913981, 13.495472002850665 ], [ 13.330316154542716, 2.8917109413984803, 9.291490467330751 ], [ 17.252097735623934, 1.0332210135055004, 10.860441462299564 ], [ 11.352573992226715, 0.8610414453983335, 8.345576417714904 ] ]
[{"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": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}]
[ "H", "H", "I", "I", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.16666666666666666, 0.16666666666666666, 0.6666666666666666 ]
[ [ 2.0825405, 8.7e-7, 0.4864951 ], [ 8.7e-7, 1.0212513, 0.00000198 ], [ 0.4864951, 0.00000198, 1.2442598 ] ]
-50.545753
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0.00365125, 0, 0.00167369 ], [ 0.00365125, 0, 0.00167369 ], [ -0.00162157, 0, -0.00074331 ], [ -0.00162157, 0, -0.00074331 ], [ 0.00141631, 0.0008944, -0.00033467 ], [ -0.00136158, 0.00167244, -0.00246391 ], [ 0.00067094, 0.0008944, 0.00129144 ], [ -0.00275534, 0.00167244, 0.00057676 ], [ 0.00141631, -0.0008944, -0.00033468 ], [ -0.00136158, -0.00167244, -0.00246391 ], [ -0.00275534, -0.00167244, 0.00057676 ], [ 0.00067094, -0.0008944, 0.00129144 ] ]
0
-0.009426
pbe
true
c9f62bc52a9c380553bc2fff61275661_109_H2I2O8
[ "H", "I", "Ti" ]
5
A3BC
HITi3
Ti3 H1 I1
3
[ 1, 1, 1 ]
3
[ [ 5.04083995, 0, 0 ], [ 0, 5.04083995, 0 ], [ 0, 0, 5.04083995 ] ]
agm002491692
[ [ 0, 0, 0 ], [ 2.520419975, 2.520419975, 2.520419975 ], [ 0, 2.520419975, 0 ], [ 0, 0, 2.520419975 ], [ 2.520419975, 0, 0 ] ]
[{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]
[ "I", "H", "Ti", "Ti", "Ti" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.6 ]
[ [ 4.286119, 0, 0 ], [ 0, 4.286119, 0 ], [ 0, 0, 4.286119 ] ]
-20.054283
[ 0.006, -0.053, 0.883, 0.75, 0.982 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
3.475567
8.616805
pbe
true
488bd438da3e0bfcc06e8f265d8877e9_221_Ti3H1I1
[ "H", "In", "Na" ]
4
A2BC
H2InNa
Na1 In1 H2
3
[ 1, 1, 1 ]
3
[ [ 3.19014734, 0, 0 ], [ 1.59507367, 2.76274864, 0 ], [ 1.59507367, 0.92091621, 6.53917175 ] ]
agm001986723
[ [ 3.19014734, 1.841832425, 3.269585875 ], [ 1.5950720589755936, 0.9209152808749252, 4.576830195532998 ], [ 4.785222621024407, 2.762749569125075, 1.9623415544670026 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}]
[ "Na", "H", "H", "In" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 8.749248, 0, 0 ], [ 0, 8.749248, 0 ], [ 0, 0, 8.112621 ] ]
-10.576985
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0.00270683 ], [ 0, 0, -0.00270683 ], [ 0, 0, 0 ] ]
0.000001
-0.002118
pbe
true
8e6a3a20e24d84602702a4e08db6508a_166_Na1In1H2
[ "H", "In", "Sn" ]
8
A2BC
H2InSn
In2 Sn2 H4
3
[ 1, 1, 1 ]
3
[ [ 5.44161062, 0, 0 ], [ 0, 5.44161062, 0 ], [ 2.72080531, 2.72080531, 4.50549219 ] ]
agm002834522
[ [ 3.6745112379992535, 1.360402655, 1.1263730475 ], [ 1.7670993820007461, 4.081207965, 1.1263730475 ], [ 4.081207965, 4.487904692000745, 3.3791191425 ], [ 6.802013274999999, 6.395316547999253, 3.3791191425 ], [ 0, 0, 0 ], [ 5.44161062, 2.72080531, 2.252746095 ], [ 2.72080531, 2.72080531, 0 ], [ 2.72080531, 5.44161062, 2.252746095 ] ]
[{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}]
[ "H", "H", "H", "H", "Sn", "Sn", "In", "In" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 9.906613, 0, 0 ], [ 0, 9.906613, 0 ], [ 0, 0, 9.166347 ] ]
-23.176261
[ 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ -0.03732247, 0, 0 ], [ 0.03732247, 0, 0 ], [ 0, 0.03732247, 0 ], [ 0, -0.03732247, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
2.357684
pbe
true
c864f88795fe7f25a4d49016205144ca_122_In2Sn2H4
[ "H", "La", "Ru" ]
20
A6B3C
H6La3Ru
La6 H12 Ru2
3
[ 1, 1, 1 ]
3
[ [ 6.56901496, -0.02391988, -0.02445646 ], [ -0.16646007, 6.56694912, -0.02445646 ], [ -0.16646007, -0.17011226, 6.56479098 ] ]
agm003571454
[ [ 2.731551355978455, 6.036886261250573, 4.898441881989649 ], [ 5.976190857846922, 4.833756622247939, 2.9698554095506386 ], [ 1.5331580901086876, 3.538645807406504, 0.3718244779101218 ], [ 4.702936729891312, 2.8342711725934957, 6.144053582089878 ], [ 0.2599039621530771, 1.5391603577520612, 3.5460226504493604 ], [ 3.5045434640215447, 0.3360307187494268, 1.6174361780103506 ], [ 1.4570882322515557, 6.003984046068038, 0.378784796786254 ], [ 0.26514292734431527, 6.029427367971207, 4.920836726351192 ], [ 3.561695380834653, 4.855126093535442, 2.940319428057242 ], [ 6.022254107090654, 4.910844190171277, 0.5049693322400244 ], [ 2.75394959978943, 3.6223082672742786, 4.919150954892959 ], [ 1.4593997611967033, 3.514641377182096, 2.785349063023454 ], [ 4.776695058803297, 2.858275602817904, 3.730528996976546 ], [ 3.48214522021057, 2.750608712725722, 1.5967271051070413 ], [ 0.2138407129093455, 1.462072789828724, 6.0109087277599755 ], [ 2.674399439165347, 1.5177908864645582, 3.5755586319427577 ], [ 5.970951892655684, 0.3434896120287932, 1.5950413336488085 ], [ 4.779006587748444, 0.36893293393196297, 6.137093263213746 ], [ 0, 0, 0 ], [ 3.1180474099999995, 3.18645849, 3.2579390299999997 ] ]
[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}]
[ "La", "La", "La", "La", "La", "La", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "Ru", "Ru" ]
2023-11-16 06:57:59
[ 0.6, 0.3, 0.1 ]
[ [ 9.330596, 0.04664855, 0.04769499 ], [ 0.04664854, 9.332622, 0.04874145 ], [ 0.047695, 0.04874144, 9.3347845 ] ]
-95.476299
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ -0.00219485, -0.00628333, 0.00034722 ], [ -0.00623422, 0.00039883, -0.00232241 ], [ -0.00053402, 0.00218378, 0.00627408 ], [ 0.00053402, -0.00218378, -0.00627408 ], [ 0.00623422, -0.00039883, 0.00232241 ], [ 0.00219485, 0.00628333, -0.00034722 ], [ -0.00079271, 0.00180726, -0.00407865 ], [ -0.00182403, 0.00406094, 0.00084359 ], [ 0.00242585, -0.00423392, 0.00713409 ], [ 0.00409957, 0.00088188, -0.00171634 ], [ 0.0071719, 0.00258209, -0.00407463 ], [ 0.00428556, -0.00708057, -0.00249107 ], [ -0.00428556, 0.00708057, 0.00249107 ], [ -0.0071719, -0.00258209, 0.00407463 ], [ -0.00409957, -0.00088188, 0.00171634 ], [ -0.00242585, 0.00423392, -0.00713409 ], [ 0.00182403, -0.00406094, -0.00084359 ], [ 0.00079271, -0.00180726, 0.00407865 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000739
11.254061
pbe
true
edf24012b49d21652da10bde3b0b44af_148_La6H12Ru2
[ "H", "Nb", "V" ]
9
A4B3C2
H4Nb2V3
Nb2 V3 H4
3
[ 1, 1, 1 ]
3
[ [ 2.67902504, 0, 0 ], [ -1.33951252, 4.56198959, -0.03266195 ], [ 0, -2.03867396, 7.20207702 ] ]
agm003342017
[ [ -0.000001339512520064106, 2.300516744558755, 1.405953660049446 ], [ 1.33951385951252, 0.22279888544124463, 5.763461409950554 ], [ -2.5462296230432457e-17, 2.4378280136988515, 4.291485491241192 ], [ 0, 0, 0 ], [ 1.3395125199999998, 0.08548761630114785, 2.8779295787588084 ], [ 1.3395125333951252, 0.7762370279316771, 1.0866682441404785 ], [ -0.0000013261173948072763, -0.5318382970847254, 4.387190324094125 ], [ 1.3395138461173948, 3.0551539270847248, 2.7822247459058747 ], [ -1.3395125155058269e-8, 1.7470786020683222, 6.082746825859521 ] ]
[{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]
[ "Nb", "Nb", "V", "V", "V", "H", "H", "H", "H" ]
2023-11-16 06:57:59
[ 0.4444444444444444, 0.2222222222222222, 0.3333333333333333 ]
[ [ 10.448063, 0, 0 ], [ 0, 10.283754, -0.11881688 ], [ 0, -0.11881698, 10.327097 ] ]
-60.666606
[ 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, -0.0015335, 0.01201101 ], [ 0, 0.0015335, -0.01201101 ], [ 0, 0.00412949, -0.00453679 ], [ 0, 0, 0 ], [ 0, -0.00412949, 0.00453679 ], [ 0, 0.00100388, 0.00238357 ], [ 0, -0.0014867, -0.00325762 ], [ 0, 0.0014867, 0.00325762 ], [ 0, -0.00100388, -0.00238357 ] ]
0.000002
3.811454
pbe
true
5a1e8cf009a79d05393e726f9829b849_12_Nb2V3H4
[ "H", "O", "Ti" ]
3
ABC
HOTi
Ti1 H1 O1
3
[ 1, 1, 1 ]
3
[ [ 3.34834846, 0, 0 ], [ 1.67417423, 2.89975483, 0 ], [ 1.67417423, 0.96658494, 2.73391507 ] ]
agm001249755
[ [ 3.34834846, 1.9331698849999999, 1.366957535 ], [ 0, 0, 0 ], [ 1.67417423, 0.9665849424999999, 0.6834787675 ] ]
[{"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": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]
[ "H", "O", "Ti" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 1.4188476, 0, 0 ], [ 0, 1.4188476, 0 ], [ 0, 0, 1.4188476 ] ]
-21.023417
[ -0.008, 0.003, 0.875 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
1.005074
1.757302
pbe
true
982471840dfbe4014745700dfec94762_216_Ti1H1O1
[ "H", "O", "Pt" ]
4
A2BC
HO2Pt
H1 Pt1 O2
3
[ 1, 1, 1 ]
3
[ [ 1.56617071, 0, 5.68129264 ], [ -0.78308536, 1.35634362, 5.68129264 ], [ -0.78308536, -1.35634362, 5.68129264 ] ]
agm002766445
[ [ -4.999999969612645e-9, 0, 8.52193896 ], [ -8.904564174475156e-9, 6.491516583118937e-17, 15.176830515560246 ], [ -1.0954358003629075e-9, 8.461038725640435e-18, 1.8670474044397536 ], [ 0, 0, 0 ] ]
[{"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": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]
[ "H", "O", "O", "Pt" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ 59.177776, 0, 0 ], [ 0, 59.177776, 0 ], [ 0, 0, 58.353157 ] ]
-17.930737
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, -0.03049306 ], [ 0, 0, 0.03049306 ], [ 0, 0, 0 ] ]
0
1.634577
pbe
true
a00f3c885bad1cf6b3faf29b5d32f8e4_166_H1Pt1O2
[ "H", "Os", "Ta" ]
10
A3BC
HOs3Ta
Ta2 H2 Os6
3
[ 1, 1, 1 ]
3
[ [ 4.49026817, 0, 0.91949984 ], [ 0, 5.68081916, 0 ], [ -0.94374842, 0, 4.81898065 ] ]
agm003080032
[ [ 3.741189099025983, 1.42020479, 2.271833575702403 ], [ -0.19466934902598224, 4.260614370000001, 3.466646914297598 ], [ 3.176807296857596, 5.60510730413861, 1.4361461161219695 ], [ 0.3697124531424043, 0.0757118558613908, 4.302334373878031 ], [ 3.176807296857596, 2.9161214358613914, 1.4361461161219695 ], [ 0.3697124531424043, 2.7646977241386095, 4.302334373878031 ], [ 0.9467364522835487, 1.42020479, 1.8400937008310971 ], [ 2.599783297716452, 4.260614370000001, 3.8983867891689035 ], [ 2.697096509367474, 1.42020479, 3.9292136762453227 ], [ 0.8494232406325262, 4.260614370000001, 1.809266813754678 ] ]
[{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}]
[ "H", "H", "Os", "Os", "Os", "Os", "Os", "Os", "Ta", "Ta" ]
2023-11-16 06:57:59
[ 0.2, 0.6, 0.2 ]
[ [ 11.91466, 0, -1.2131405 ], [ 0, 14.627286, 0 ], [ -1.2131423, 0, 17.651249 ] ]
-97.61732
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0.00296811, 0, -0.00755532 ], [ -0.00296811, 0, 0.00755532 ], [ 0.02306643, -0.0161746, 0.00448313 ], [ -0.02306643, 0.0161746, -0.00448313 ], [ 0.02306643, 0.0161746, 0.00448313 ], [ -0.02306643, -0.0161746, -0.00448313 ], [ -0.00325396, 0, 0.02768894 ], [ 0.00325396, 0, -0.02768894 ], [ -0.00604294, 0, 0.00023215 ], [ 0.00604294, 0, -0.00023215 ] ]
0
7.544748
pbe
true
c7532480c296f840ba500d2beb5a4ccf_11_Ta2H2Os6
[ "H", "Pd", "Se" ]
28
A5BC
HPd5Se
H4 Pd20 Se4
3
[ 1, 1, 1 ]
3
[ [ 5.3192451, -0.32341422, 0 ], [ -2.97251779, 6.63534457, 0 ], [ 0, 0, 11.73815414 ] ]
agm005795932
[ [ 1.6207583431328307, 2.5130059136859777, 9.096924844440995 ], [ 4.871850411867169, 0.31954504131402245, 3.2278477744409955 ], [ 0.7259689668671693, 3.798924436314022, 2.641229295559005 ], [ -2.525123101867169, 5.992385308685978, 8.510306365559005 ], [ 3.395920283429786, 2.7210473082713165, 9.651154938893733 ], [ 3.0966884715702134, 0.1115036467286837, 3.782077868893732 ], [ -1.0491929734297867, 3.590883041728684, 2.086999201106268 ], [ -0.7499611615702132, 6.200426703271316, 7.956076271106268 ], [ -0.7175814506463468, 3.526781025153026, 7.0639934594082305 ], [ -1.0815726843536533, 6.264528719846974, 1.1949163894082295 ], [ 3.064308760646346, 2.7851493248469743, 4.67416068059177 ], [ 3.4282999943536536, 0.04740163015302569, 10.543237750591771 ], [ 0.4983346926075023, 1.1762521551529657, 5.042567930445034 ], [ 0.6750289623924977, 1.9797130198470343, 10.911645000445034 ], [ 1.8483926173924985, 5.135678194847034, 6.695586209554967 ], [ 1.6716983476075018, 4.332217330152966, 0.8265091395549666 ], [ 4.653997941088299, 0.4523978498539625, 1.378096505984624 ], [ 1.8386108139117006, 2.3801531051460376, 7.2471735759846245 ], [ -2.3072706310882993, 5.859532500146038, 10.360057634015376 ], [ 0.5081164960882992, 3.9317772448539623, 4.490980564015376 ], [ -0.28005335287235045, 1.0599248090338675, 8.437067678762514 ], [ 1.4534170078723505, 2.0960403659661324, 2.5679906087625133 ], [ 2.6267806628723505, 5.252005540966133, 3.301086461237487 ], [ 0.8933103021276495, 4.2158899840338675, 9.170163531237488 ], [ 2.77979380142249, 1.87120802703881, 0.47207710125770486 ], [ 3.7128149535775092, 0.9613429279611897, 6.341154171257705 ], [ -0.4330664914224905, 4.440722322961189, 11.266077038742296 ], [ -1.3660876435775096, 5.35058742203881, 5.396999968742295 ] ]
[{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}]
[ "H", "H", "H", "H", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Se", "Se", "Se", "Se" ]
2023-11-16 06:57:59
[ 0.14285714285714285, 0.7142857142857143, 0.14285714285714285 ]
[ [ 6.327601, 0.09302416, 0 ], [ 0.09302404, 6.423903, 0 ], [ 0, 0, 6.301927 ] ]
-133.429949
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ -0.00138063, 0.00287738, 0.00311325 ], [ 0.00138063, -0.00287738, 0.00311325 ], [ 0.00138063, -0.00287738, -0.00311325 ], [ -0.00138063, 0.00287738, -0.00311325 ], [ -0.00101388, -0.00202636, -0.0010665 ], [ 0.00101388, 0.00202636, -0.0010665 ], [ 0.00101388, 0.00202636, 0.0010665 ], [ -0.00101388, -0.00202636, 0.0010665 ], [ -0.00101613, -0.00026933, -0.00140352 ], [ 0.00101613, 0.00026933, -0.00140352 ], [ 0.00101613, 0.00026933, 0.00140352 ], [ -0.00101613, -0.00026933, 0.00140352 ], [ 0.00109877, 0.00059688, -0.00584023 ], [ -0.00109877, -0.00059688, -0.00584023 ], [ -0.00109877, -0.00059688, 0.00584023 ], [ 0.00109877, 0.00059688, 0.00584023 ], [ 0.00362227, -0.00110861, -0.00477431 ], [ -0.00362227, 0.00110861, -0.00477431 ], [ -0.00362227, 0.00110861, 0.00477431 ], [ 0.00362227, -0.00110861, 0.00477431 ], [ -0.00025313, 0.00222531, 0.00055396 ], [ 0.00025313, -0.00222531, 0.00055396 ], [ 0.00025313, -0.00222531, -0.00055396 ], [ -0.00025313, 0.00222531, -0.00055396 ], [ 0.0028497, 0.0032792, 0.00069888 ], [ -0.0028497, -0.0032792, 0.00069888 ], [ -0.0028497, -0.0032792, -0.00069888 ], [ 0.0028497, 0.0032792, -0.00069888 ] ]
0
16.436022
pbe
true
b5ea3abc30ea38f32a650ddf2ae4e0a4_14_H4Pd20Se4
[ "H", "Rh", "Ti" ]
16
A2BC
H2RhTi
Ti4 H8 Rh4
3
[ 1, 1, 1 ]
3
[ [ 4.82342393, 0, 0 ], [ 0, 5.36722875, 0 ], [ 0, 0, 5.73767422 ] ]
agm003619717
[ [ 0.061970820076007696, 3.3853403532926247, 2.21319881455482 ], [ 2.4736827850760075, 1.981888396707375, 3.5244754054451795 ], [ 2.4736827850760075, 4.6655027717073745, 5.08203592455482 ], [ 0.061970820076007696, 0.701725978292625, 0.6556382954451799 ], [ 1.9580107256566648, 0.4996871180949375, 0.7162266434130827 ], [ 1.9580107256566648, 3.183301493094937, 2.1526104665869172 ], [ 4.369722690656665, 4.867541631905063, 5.021447576586917 ], [ 4.369722690656665, 2.1839272569050627, 3.5850637534130825 ], [ 4.141483286649952, 2.404542203151075, 0.7779850752846701 ], [ 1.729771321649952, 2.962686546848925, 4.9596891447153295 ], [ 1.729771321649952, 0.27907217184892497, 3.64682218528467 ], [ 4.141483286649952, 5.088156578151074, 2.0908520347153297 ], [ 4.8024382253995945, 3.155220044930362, 5.031699193869276 ], [ 2.390726260399595, 4.895623080069638, 2.1628620838692756 ], [ 4.8024382253995945, 0.4716056699303625, 3.574812136130724 ], [ 2.390726260399595, 2.2120087050696378, 0.7059750261307244 ] ]
[{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"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"]}]
[ "Ti", "Ti", "Ti", "Ti", "H", "H", "H", "H", "H", "H", "H", "H", "Rh", "Rh", "Rh", "Rh" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 15.3935, 0, 0 ], [ 0, 14.905936, 0 ], [ 0, 0, 15.580708 ] ]
-92.894806
[ 0.001, 0.001, 0.001, 0.001, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0.00151232, -0.00025383, 0.00379409 ], [ 0.00151232, 0.00025383, -0.00379409 ], [ 0.00151232, 0.00025383, 0.00379409 ], [ 0.00151232, -0.00025383, -0.00379409 ], [ 0.00215686, 0.00067559, -0.00226581 ], [ 0.00215686, 0.00067559, 0.00226581 ], [ 0.00215686, -0.00067559, 0.00226581 ], [ 0.00215686, -0.00067559, -0.00226581 ], [ 0.00078403, -0.00028216, 0.00481168 ], [ 0.00078403, 0.00028216, -0.00481168 ], [ 0.00078403, 0.00028216, 0.00481168 ], [ 0.00078403, -0.00028216, -0.00481168 ], [ -0.00445321, 0.00285545, -0.00358176 ], [ -0.00445321, -0.00285545, -0.00358176 ], [ -0.00445321, 0.00285545, 0.00358176 ], [ -0.00445321, -0.00285545, 0.00358176 ] ]
0.003364
10.128154
pbe
true
295f6bcfaa4dd85e1f8099a8a96f1a13_33_Ti4H8Rh4
[ "H", "Rh", "Te" ]
6
ABC
HRhTe
Te2 H2 Rh2
3
[ 1, 1, 1 ]
3
[ [ 3.06952568, 0, 0 ], [ 0, 4.75032315, 0 ], [ 0, 0, 6.81289671 ] ]
agm002084525
[ [ 0, 0, 1.5338044685640753 ], [ 1.53476284, 2.375161575, 4.940252823564075 ], [ 0, 0, 4.637217426159189 ], [ 1.53476284, 2.375161575, 1.2307690711591892 ], [ 0, 2.375161575, 0.3705170711884686 ], [ 1.53476284, 0, 3.7769654261884686 ] ]
[{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}]
[ "Te", "Te", "H", "H", "Rh", "Rh" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 6.945456, 0, 0 ], [ 0, 7.105744, 0 ], [ 0, 0, 7.206354 ] ]
-28.21256
[ 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0.00341657 ], [ 0, 0, 0.00341657 ], [ 0, 0, -0.00161275 ], [ 0, 0, -0.00161275 ], [ 0, 0, -0.00180381 ], [ 0, 0, -0.00180381 ] ]
0.000001
2.659489
pbe
true
a9b87ba6dbfc632052816c825c3ba5c0_44_Te2H2Rh2
[ "Hf", "Hg", "S" ]
32
A2BC
HfHgS2
Hf8 Hg8 S16
3
[ 1, 1, 1 ]
3
[ [ 18.22779891, 0, 3.31908124 ], [ 2.02651305, 4.74520249, -4.28814345 ], [ -2.02651305, 4.74520249, 4.28814345 ] ]
agm003137547
[ [ 1.2648339703232363, 6.9612309861879345, 0.5602005968000262 ], [ 7.849065484676763, 2.216028496187935, 1.0993400231999741 ], [ 16.962964939676763, 2.5291739938120648, 2.758880643199974 ], [ 10.378733425323237, 7.274376483812064, 2.219741216800026 ], [ 13.692418649691767, 1.2096510996249414, 2.3226269073052603 ], [ 13.649279715308232, 5.95485358962494, 2.6559949526947397 ], [ 4.535380260308233, 8.280753880375059, 0.9964543326947397 ], [ 4.578519194691768, 3.5355513903750584, 0.6630862873052603 ], [ 8.940191598417444, 4.761160131453621, -1.2050876945837192 ], [ 2.2002209065825564, 4.761160131453621, -1.4235151354162807 ], [ 9.287607311582557, 4.7292448485463785, 4.524168934583719 ], [ 16.027578003417442, 4.7292448485463785, 4.74259637541628 ], [ 12.657592657499999, 3.70730788556665, 4.633382655 ], [ 5.5702062525, 5.78309709443335, -1.3143014149999996 ], [ 14.684105707499999, 3.3857803673601343, 0.3452392050000004 ], [ 3.5436932025, 6.1046246126398644, 2.973842035 ], [ 6.946374871258072, 3.587187592474666, -0.6337908591836618 ], [ 4.194037633741928, 3.587187592474666, -1.9948119708163385 ], [ 11.281424038741928, 5.903217387525333, 3.952872099183661 ], [ 14.033761276258074, 5.903217387525333, 5.313893210816338 ], [ 5.607426601910057, 1.187304659894859, 1.319801143560921 ], [ 3.5064728530899436, 5.932507149894859, 0.33973947643907954 ], [ 12.620372308089943, 8.30310032010514, 1.9992800964390791 ], [ 14.721326056910058, 3.5578978301051407, 2.9793417635609214 ], [ 1.8456271626600242, 0.9103574174934204, -0.17004871923105977 ], [ 7.268272292339978, 5.65555990749342, 1.8295893392310598 ], [ 16.382171747339974, 8.580047562506579, 3.4891299592310596 ], [ 10.959526617660025, 3.8348450725065795, 1.4894919007689407 ], [ 5.996578588929667, 3.439470388001464, 3.990013081382104 ], [ 1.0908078160703332, 3.4394703880014634, 1.9576709886178956 ], [ 12.231220321070333, 6.050934591998535, -0.6709318413821042 ], [ 17.136991093929666, 6.050934591998535, 1.3614102513821045 ] ]
[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}]
[ "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "Hf", "Hf", "Hf", "Hf", "Hf", "Hf", "Hf", "Hf", "Hg", "Hg", "Hg", "Hg", "Hg", "Hg", "Hg", "Hg" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
[ [ 1.7946824, 0, 0.0783894 ], [ 0, 1.5646988, 0 ], [ 0.07838923, 0, 1.5665776 ] ]
-177.550811
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0.00154723, -0.00378645, 0.00000548 ], [ -0.00154723, -0.00378645, -0.00000548 ], [ -0.00154723, 0.00378645, -0.00000548 ], [ 0.00154723, 0.00378645, 0.00000548 ], [ -0.00057542, -0.0022781, -0.00146833 ], [ 0.00057542, -0.0022781, 0.00146833 ], [ 0.00057542, 0.0022781, 0.00146833 ], [ -0.00057542, 0.0022781, -0.00146833 ], [ -0.00076598, -0.00260589, -0.00040493 ], [ 0.00076598, -0.00260589, 0.00040493 ], [ 0.00076598, 0.00260589, 0.00040493 ], [ -0.00076598, 0.00260589, -0.00040493 ], [ 0, 0.00059, 0 ], [ 0, -0.00059, 0 ], [ 0, -0.00403093, 0 ], [ 0, 0.00403093, 0 ], [ -0.00936212, 0.00254453, -0.00685841 ], [ 0.00936212, 0.00254453, 0.00685841 ], [ 0.00936212, -0.00254453, 0.00685841 ], [ -0.00936212, -0.00254453, -0.00685841 ], [ 0.00131957, 0.00089921, 0.00444218 ], [ -0.00131957, 0.00089921, -0.00444218 ], [ -0.00131957, -0.00089921, -0.00444218 ], [ 0.00131957, -0.00089921, 0.00444218 ], [ -0.00273159, 0.00114738, 0.00081382 ], [ 0.00273159, 0.00114738, -0.00081382 ], [ 0.00273159, -0.00114738, -0.00081382 ], [ -0.00273159, -0.00114738, 0.00081382 ], [ 0.00082866, -0.00213104, 0.00111293 ], [ -0.00082866, -0.00213104, -0.00111293 ], [ -0.00082866, 0.00213104, -0.00111293 ], [ 0.00082866, 0.00213104, 0.00111293 ] ]
0
0
pbe
true
09ebc24dc7a846950444af547690ae3c_15_Hf8Hg8S16
[ "Hf", "Ho", "Mg" ]
3
ABC
HfHoMg
Ho1 Hf1 Mg1
3
[ 1, 1, 1 ]
3
[ [ 3.27996842, 0, 0 ], [ -1.63998421, 2.84053597, 0 ], [ 0, 0, 8.16598778 ] ]
agm001279266
[ [ 0, 0, 0.1046191240626146 ], [ 1.6399842263998423, 0.94684531386488, 2.732974906697162 ], [ -1.6399842087427118e-8, 1.8936906561351199, 5.328393749240224 ] ]
[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}]
[ "Mg", "Hf", "Ho" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 0.9576554, 0, 0 ], [ 0, 0.9576554, 0 ], [ 0, 0, 0.4217451 ] ]
-15.841887
[ 0, 0, 0 ]
[ [ 0, 0, 0.00728839 ], [ 0, 0, -0.00311193 ], [ 0, 0, -0.00417646 ] ]
-0.000046
2.902723
pbe
true
b8144b6cdfa157d07ca1277879fb70aa_156_Ho1Hf1Mg1
[ "Hf", "In", "Mg" ]
16
A5B2C
Hf2In5Mg
Hf4 Mg2 In10
3
[ 1, 1, 1 ]
3
[ [ 4.50691926, 0, 0 ], [ 0, 6.27219314, 0 ], [ 0, 0, 12.52881084 ] ]
agm005976875
[ [ 2.25345963, 1.6823415682795708, 4.626364760749696 ], [ 2.25345963, 4.58985157172043, 7.902446079250304 ], [ 2.25345963, 1.453755001720429, 10.890770180749696 ], [ 2.25345963, 4.8184381382795705, 1.6380406592503043 ], [ 0, 0, 6.26440542 ], [ 0, 3.13609657, 0 ], [ 2.25345963, 1.685528657779799, 1.4669691438382344 ], [ 2.25345963, 4.5866644822202005, 11.061841696161766 ], [ 2.25345963, 4.821625227779799, 4.797436276161766 ], [ 2.25345963, 1.4505679122202009, 7.731374563838235 ], [ 0, 6.180757923790188, 9.336752237364333 ], [ 0, 0.09143521620981179, 3.1920586026356665 ], [ 0, 3.0446613537901883, 9.456464022635666 ], [ 0, 3.2275317862098114, 3.0723468173643336 ], [ 0, 3.13609657, 6.26440542 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}]
[ "Hf", "Hf", "Hf", "Hf", "Mg", "Mg", "In", "In", "In", "In", "In", "In", "In", "In", "In", "In" ]
2023-11-16 06:57:59
[ 0.25, 0.625, 0.125 ]
[ [ 4.3674736, 0, 0 ], [ 0, 4.491011, 0 ], [ 0, 0, 4.717579 ] ]
-72.020094
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, -0.00046053, 0.00114715 ], [ 0, 0.00046053, -0.00114715 ], [ 0, 0.00046053, 0.00114715 ], [ 0, -0.00046053, -0.00114715 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.00406914, 0.00600793 ], [ 0, -0.00406914, -0.00600793 ], [ 0, 0.00406914, -0.00600793 ], [ 0, -0.00406914, 0.00600793 ], [ 0, 0.00100775, 0.00249017 ], [ 0, -0.00100775, -0.00249017 ], [ 0, 0.00100775, -0.00249017 ], [ 0, -0.00100775, 0.00249017 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0
5.048441
pbe
true
9729c7e4c2fa7dd3d22ea49322902620_55_Hf4Mg2In10
[ "Hf", "In", "Sb" ]
5
A3BC
HfIn3Sb
Hf1 In3 Sb1
3
[ 1, 1, 1 ]
3
[ [ 5.53110319, 0, 0 ], [ 0, 5.53110319, 0 ], [ 0, 0, 5.53110319 ] ]
agm002498474
[ [ 0, 0, 0 ], [ 2.765551595, 2.765551595, 2.765551595 ], [ 0, 2.765551595, 0 ], [ 0, 0, 2.765551595 ], [ 2.765551595, 0, 0 ] ]
[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}]
[ "Sb", "Hf", "In", "In", "In" ]
2023-11-16 06:57:59
[ 0.2, 0.6, 0.2 ]
[ [ 2.6315188, 0, 0 ], [ 0, 2.6315188, 0 ], [ 0, 0, 2.6315188 ] ]
-17.045484
[ 0.002, 0.326, 0.002, -0.005, 0.007 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.553104
4.854352
pbe
true
67e8db778849f66c02508eb3d06662da_221_Hf1In3Sb1
[ "Hf", "In", "Rh" ]
6
A4BC
HfInRh4
Hf1 In1 Rh4
3
[ 1, 1, 1 ]
3
[ [ 4.23605181, 0.00002555, -0.00127501 ], [ -0.00011923, 4.23882777, -0.00237895 ], [ 0.00302091, 0.00389989, 6.33533848 ] ]
agm003752125
[ [ 0.0071650190300640995, 4.2288337766630475, 3.1534250427936237 ], [ 2.126069460007217, 2.1125652250488693, 6.321896233262729 ], [ 2.1247386310273466, 4.22871803821903, 1.6354801535816539 ], [ 2.125705084023153, 4.230597901478871, 4.67023298998327 ], [ 0.007827927697996201, 2.110033776816228, 4.6699652940220755 ], [ 0.0055816306008041, 2.108621175885697, 1.6393143974965325 ] ]
[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}]
[ "Hf", "In", "Rh", "Rh", "Rh", "Rh" ]
2023-11-16 06:57:59
[ 0.16666666666666666, 0.16666666666666666, 0.6666666666666666 ]
[ [ 9.954638, 0.01529436, 0.04408389 ], [ 0.01529423, 10.225851, 0.02159908 ], [ 0.04408387, 0.02159921, 9.665934 ] ]
-42.539819
[ 0, 0, 0, 0, 0, 0 ]
[ [ 0.00090478, -0.00167369, 0.00155478 ], [ -0.00039878, 0.00009973, -0.0047836 ], [ -0.00103413, 0.0008776, -0.00266605 ], [ 0.00069457, 0.00030738, 0.00421186 ], [ -0.00114586, 0.00074627, 0.00626921 ], [ 0.00097942, -0.00035728, -0.00458621 ] ]
-0.000006
6.033256
pbe
true
3f62e4938ce313cff7ae8dbd44bc73ab_123_Hf1In1Rh4
[ "Hf", "In", "Si" ]
8
A2BC
HfIn2Si
Hf2 In4 Si2
3
[ 1, 1, 1 ]
3
[ [ 7.93517524, 0, 0 ], [ 0, 7.93517524, 0 ], [ 3.96758762, 3.96758762, 2.82084156 ] ]
agm002891879
[ [ 3.96758762, 3.96758762, 0 ], [ 3.96758762, 7.93517524, 1.41042078 ], [ 0, 0, 0 ], [ 7.93517524, 3.96758762, 1.41042078 ], [ 5.680953197076877, 1.98379381, 0.70521039 ], [ 2.2542220429231232, 5.9513814300000005, 0.70521039 ], [ 5.9513814300000005, 6.221809662923123, 2.11563117 ], [ 9.918969050000001, 9.648540817076878, 2.11563117 ] ]
[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Si", "Si", "Hf", "Hf", "In", "In", "In", "In" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ 4.564652, 0, 0 ], [ 0, 4.564652, 0 ], [ 0, 0, 3.0089931 ] ]
-39.876115
[ 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.02313046, 0, 0 ], [ -0.02313046, 0, 0 ], [ 0, -0.02313046, 0 ], [ 0, 0.02313046, 0 ] ]
0
4.751786
pbe
true
cea2a4ae94f2577f93125022634ca03b_122_Hf2In4Si2
[ "Hf", "Mo", "Sb" ]
4
A2BC
HfMo2Sb
Hf1 Sb1 Mo2
3
[ 1, 1, 1 ]
3
[ [ 0, 3.29879288, 3.29879288 ], [ 3.29879288, 0, 3.29879288 ], [ 3.29879288, 3.29879288, 0 ] ]
agm002702919
[ [ 0, 0, 0 ], [ 1.64939644, 1.64939644, 1.64939644 ], [ 4.94818932, 4.94818932, 4.94818932 ], [ 3.29879288, 3.29879288, 3.29879288 ] ]
[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}]
[ "Sb", "Mo", "Mo", "Hf" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ 6.277965, 0, 0 ], [ 0, 6.277965, 0 ], [ 0, 0, 6.277965 ] ]
-35.477631
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
5.215677
pbe
true
f8751777708aa7b1beaf9343a9268699_225_Hf1Sb1Mo2
[ "Hf", "Nd", "Rh" ]
3
ABC
HfNdRh
Nd1 Hf1 Rh1
3
[ 1, 1, 1 ]
3
[ [ 3.40224344, 0, 0 ], [ 0, 3.40224344, 0 ], [ -1.70112172, -1.70112172, 6.01250944 ] ]
agm001841734
[ [ -3.135923065297419e-18, -3.135923065297419e-18, 0.138090506810368 ], [ 1.701121723901203e-8, 1.701121723901203e-8, 3.532879178456947 ], [ 1.70112172, 1.70112172, 2.34153969460759 ] ]
[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}]
[ "Nd", "Hf", "Rh" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 4.0171514, 0, 0 ], [ 0, 4.0171514, 0 ], [ 0, 0, 4.0929403 ] ]
-23.349035
[ 0.001, 0.001, 0 ]
[ [ 0, 0, 0.00168473 ], [ 0, 0, 0.0007892 ], [ 0, 0, -0.00247393 ] ]
0.005003
4.060781
pbe
true
5247546c26d02f17cb565ade01a52d71_107_Nd1Hf1Rh1
[ "Hf", "Nd", "Sm" ]
4
A2BC
HfNdSm2
Nd1 Sm2 Hf1
3
[ 1, 1, 1 ]
3
[ [ 3.39342512, 0, 0 ], [ 1.69671256, 2.93879236, 0 ], [ 1.69671256, 0.97959745, 12.25692522 ] ]
agm001974045
[ [ 3.39342512, 1.959194905, 6.12846261 ], [ 0, 0, 0 ], [ 1.6967142736796854, 0.9795984402376479, 9.152662674662228 ], [ 5.090135966320314, 2.938791369762352, 3.1042625453377717 ] ]
[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}]
[ "Nd", "Hf", "Sm", "Sm" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
[ [ 1.4545537, 0, 0 ], [ 0, 1.4545537, 0 ], [ 0, 0, 1.413004 ] ]
-22.569901
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00140048 ], [ 0, 0, -0.00140048 ] ]
-0.000045
5.608365
pbe
true
d8a9b2400bef0bac000d7bae2601e872_166_Nd1Sm2Hf1
[ "Hf", "Ni", "Zr" ]
5
A3BC
Hf3NiZr
Hf3 Zr1 Ni1
3
[ 1, 1, 1 ]
3
[ [ 4.82569064, 0, 0 ], [ 0, 4.82569064, 0 ], [ 0, 0, 4.82569064 ] ]
agm002556588
[ [ 0, 0, 0 ], [ 0, 2.41284532, 0 ], [ 0, 0, 2.41284532 ], [ 2.41284532, 0, 0 ], [ 2.41284532, 2.41284532, 2.41284532 ] ]
[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"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", "Hf", "Hf", "Hf", "Zr" ]
2023-11-16 06:57:59
[ 0.6, 0.2, 0.2 ]
[ [ 0.6347496, 0, 0 ], [ 0, 0.6347496, 0 ], [ 0, 0, 0.6347496 ] ]
-42.959346
[ 0, 0.001, 0, -0.001, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
6.860039
pbe
true
67972c2bf48bd037aef5e5929a9df89d_221_Hf3Zr1Ni1
[ "Hf", "O", "Zr" ]
12
A4BC
Hf4OZr
Hf8 Zr2 O2
3
[ 1, 1, 1 ]
3
[ [ 7.93233648, -0.05794213, 0.79360459 ], [ 1.37815931, 4.82302734, 2.80022996 ], [ 0.2030906, -0.16088221, 6.06991346 ] ]
agm005903781
[ [ 5.965575558047846, 2.1082532200457074, 5.8554431230895725 ], [ 0.9456138557742887, 1.112886103126026, 5.373114251242496 ], [ 8.044175877425388, 4.036406548329363, 7.133903249203934 ], [ 5.038607293209301, 4.59647231965975, 7.718036313034325 ], [ 4.474979096790699, 0.007730680340250701, 1.9457116969656751 ], [ 1.469410512574612, 0.567796451670638, 2.529844760796066 ], [ 8.56797253422571, 3.491316896873974, 4.290633758757504 ], [ 3.5480108319521544, 2.495949779954293, 3.8083048869104275 ], [ 6.553113338496914, 1.9169848310982025, 2.8141723491624493 ], [ 2.960473051503086, 2.6872181689017975, 6.849575660837551 ], [ 3.3280084054978043, 4.6326250183966255, 3.317981566781598 ], [ 6.185577984502196, -0.028422018396625295, 6.345766443218402 ] ]
[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}]
[ "Hf", "Hf", "Hf", "Hf", "Hf", "Hf", "Hf", "Hf", "Zr", "Zr", "O", "O" ]
2023-11-16 06:57:59
[ 0.6666666666666666, 0.16666666666666666, 0.16666666666666666 ]
[ [ 0.24063314, -0.00404034, -0.01399272 ], [ -0.00403922, 0.32570383, -0.01584272 ], [ -0.01399211, -0.01584284, 0.3435176 ] ]
-114.27056
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ -0.00191879, -0.00048893, 0.00046857 ], [ -0.00183857, -0.00142622, 0.00163734 ], [ 0.00177031, -0.00029703, 0.00095821 ], [ 0.00142454, -0.00076529, 0.00234101 ], [ -0.00142454, 0.00076529, -0.00234101 ], [ -0.00177031, 0.00029703, -0.00095821 ], [ 0.00183857, 0.00142622, -0.00163734 ], [ 0.00191879, 0.00048893, -0.00046857 ], [ 0.00001673, 0.00008856, -0.00016077 ], [ -0.00001673, -0.00008856, 0.00016077 ], [ -0.00011931, -0.00063151, 0.00114641 ], [ 0.00011931, 0.00063151, -0.00114641 ] ]
0.000002
12.20561
pbe
true
7ee3671c7983b9a9898e9a53df6170ab_15_Hf8Zr2O2
[ "Hf", "Pb", "S" ]
12
A4BC
Hf4PbS
Hf8 Pb2 S2
3
[ 1, 1, 1 ]
3
[ [ 8.17394598, 0, 0 ], [ 0, 5.19308419, 0 ], [ 0, 0, 6.08110032 ] ]
agm003753590
[ [ 3.6912188075014902, 3.138048092715946, 0 ], [ 6.558705756684687, 1.8622893248338053, 0 ], [ 2.041496384372249, 0.7323191252680487, 4.552552267880659 ], [ 6.128469374372249, 4.460765064731953, 4.569098212119341 ], [ 2.4717327666846876, 3.330794865166195, 3.04055016 ], [ 7.77819179750149, 2.0550360972840545, 3.04055016 ], [ 6.128469374372249, 4.460765064731953, 1.5120021078806594 ], [ 2.041496384372249, 0.7323191252680487, 1.5285480521193409 ], [ 0.7850180066705189, 3.4157957864965343, 0 ], [ 4.871990996670519, 1.777288403503466, 3.04055016 ], [ 4.270043305064323, 0.5409494548833033, 0 ], [ 0.18307031506432378, 4.6521347351166975, 3.04055016 ] ]
[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}]
[ "Hf", "Hf", "Hf", "Hf", "Hf", "Hf", "Hf", "Hf", "Pb", "Pb", "S", "S" ]
2023-11-16 06:57:59
[ 0.6666666666666666, 0.16666666666666666, 0.16666666666666666 ]
[ [ 1.7769313, 0, 0 ], [ 0, 1.9469059, 0 ], [ 0, 0, 1.7867714 ] ]
-98.633207
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ -0.00111264, 0.00201461, 0 ], [ -0.00022715, -0.00300549, 0 ], [ -0.00284937, -0.00297816, 0.00282792 ], [ -0.00284937, 0.00297816, -0.00282792 ], [ -0.00022715, 0.00300549, 0 ], [ -0.00111264, -0.00201461, 0 ], [ -0.00284937, 0.00297816, 0.00282792 ], [ -0.00284937, -0.00297816, -0.00282792 ], [ 0.00471739, -0.00392369, 0 ], [ 0.00471739, 0.00392369, 0 ], [ 0.00232115, 0.00579381, 0 ], [ 0.00232115, -0.00579381, 0 ] ]
0.000011
9.286354
pbe
true
1e260042090f3133b98b4906c2da9da1_31_Hf8Pb2S2
[ "Hf", "Pb", "U" ]
4
A2BC
Hf2PbU
Hf2 U1 Pb1
3
[ 1, 1, 1 ]
3
[ [ 3.67349361, 0, 0 ], [ 0, 3.67349361, 0 ], [ 0, 0, 6.78172272 ] ]
agm001156942
[ [ 1.836746805, 1.836746805, 3.39086136 ], [ 0, 0, 5.153579275569433 ], [ 0, 0, 1.628143444430568 ], [ 1.836746805, 1.836746805, 0 ] ]
[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}]
[ "Pb", "Hf", "Hf", "U" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 4.502365, 0, 0 ], [ 0, 4.502365, 0 ], [ 0, 0, 4.6238303 ] ]
-33.939135
[ -0.013, 0.093, 0.093, 1.734 ]
[ [ 0, 0, 0 ], [ 0, 0, 0.00495529 ], [ 0, 0, -0.00495529 ], [ 0, 0, 0 ] ]
2.09711
8.010878
pbe
true
f0c70d795b4852d0a0fc666c2601927e_123_Hf2U1Pb1
[ "Hf", "Pd", "Re" ]
8
A2BC
Hf2PdRe
Hf4 Re2 Pd2
3
[ 1, 1, 1 ]
3
[ [ 4.23291083, 0, 0 ], [ 0, 4.23291083, 0 ], [ 2.11645542, 2.11645542, 8.97780652 ] ]
agm002878372
[ [ 0, 0, 0 ], [ 4.2329108325, 2.1164554175, 4.48890326 ], [ 3.194441970542465, 1.05822770875, 2.24445163 ], [ 1.0384688619575346, 3.17468312375, 2.24445163 ], [ 3.1746831262499997, 3.1549242794575347, 6.733354889999999 ], [ 5.29113854125, 5.310897388042465, 6.733354889999999 ], [ 2.116455415, 2.116455415, 0 ], [ 2.1164554175, 4.2329108325, 4.48890326 ] ]
[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}]
[ "Re", "Re", "Hf", "Hf", "Hf", "Hf", "Pd", "Pd" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 5.532287, 0, 0 ], [ 0, 5.532287, 0 ], [ 0, 0, 5.5384784 ] ]
-71.075176
[ 0.101, 0.095, 0.001, 0.002, 0.003, 0.003, 0.003, 0.003 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00510456, 0, 0 ], [ -0.00510456, 0, 0 ], [ 0, -0.00510456, 0 ], [ 0, 0.00510456, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.238805
11.935375
pbe
true
0d60babba3b4c7abbca1f574a1c9ab3b_122_Hf4Re2Pd2
[ "Hf", "Pm", "Sn" ]
17
A10B6C
HfPm6Sn10
Pm6 Hf1 Sn10
3
[ 1, 1, 1 ]
3
[ [ 6.29135153, 0, 0 ], [ 0, 8.09260131, -4.67226508 ], [ 0, 0, 9.34453015 ] ]
agm006093149
[ [ 4.649480282912708, 3.1466729538776357, 1.816732292365482 ], [ 4.649480282912708, 0, 5.711065561380704 ], [ 4.649480282912708, 4.945928356122364, 6.488997366253816 ], [ 1.641871247087292, 4.945928356122364, 2.855532777634519 ], [ 1.641871247087292, 0, 3.6334645886192964 ], [ 1.641871247087292, 3.1466729538776357, -1.8167322962538146 ], [ 3.145675765, 0, 0 ], [ 5.02450932045389, 6.159945039980839, 3.5564455656375626 ], [ 5.02450932045389, 0, 2.231639011113052 ], [ 5.02450932045389, 1.9326562700191607, 8.228710643249386 ], [ 1.2668422095461098, 1.9326562700191607, 1.1158195043624377 ], [ 1.2668422095461098, 0, 7.1128911388869485 ], [ 1.2668422095461098, 6.159945039980839, -3.5564455732493854 ], [ 3.145675765, 2.6975310724662296, 4.672269745598411 ], [ 3.145675765, 5.395070237533769, -0.000004675598409975743 ], [ 0, 5.395070237533769, -0.000004675598409975743 ], [ 0, 2.6975310724662296, 4.672269745598411 ] ]
[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}]
[ "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Hf", "Sn", "Sn", "Sn", "Sn", "Sn", "Sn", "Sn", "Sn", "Sn", "Sn" ]
2023-11-16 06:57:59
[ 0.058823529411764705, 0.35294117647058826, 0.5882352941176471 ]
[ [ 2.3663933, 0, 0 ], [ 0, 2.6524167, 0 ], [ 0, 0, 2.6524162 ] ]
-87.622018
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ -0.00298554, -0.00141515, -0.00081704 ], [ -0.00298554, 0, 0.00163407 ], [ -0.00298554, 0.00141515, -0.00081704 ], [ 0.00298554, 0.00141515, 0.00081704 ], [ 0.00298554, 0, -0.00163407 ], [ 0.00298554, -0.00141515, 0.00081704 ], [ 0, 0, 0 ], [ -0.00090048, 0.00341602, 0.00197224 ], [ -0.00090048, 0, -0.00394448 ], [ -0.00090048, -0.00341602, 0.00197224 ], [ 0.00090048, -0.00341602, -0.00197224 ], [ 0.00090048, 0, 0.00394448 ], [ 0.00090048, 0.00341602, -0.00197224 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000001
11.592176
pbe
true
2ebc656d2135a8e80029a1fb03a39401_162_Pm6Hf1Sn10
[ "Hf", "Sc", "Tc" ]
3
ABC
HfScTc
Hf1 Sc1 Tc1
3
[ 1, 1, 1 ]
3
[ [ 3.31586844, 0, 0 ], [ 0, 3.31586844, 0 ], [ -1.65793422, -1.65793422, 5.43089655 ] ]
agm001839364
[ [ 3.799218968075735e-18, 3.799218968075735e-18, 0.261158455083987 ], [ 1.657934230197068e-8, 1.657934230197068e-8, 3.2888590056014086 ], [ 1.657934203420658, 1.657934203420658, 1.8808790893146046 ] ]
[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}]
[ "Sc", "Hf", "Tc" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 5.523628, 0, 0 ], [ 0, 5.523628, 0 ], [ 0, 0, 5.1517887 ] ]
-27.465044
[ 0, 0, 0 ]
[ [ 0, 0, 0.00313776 ], [ 0, 0, 0.00239631 ], [ 0, 0, -0.00553407 ] ]
0.000003
1.912442
pbe
true
2798ee390cfb7a34ec045136937a5c70_107_Hf1Sc1Tc1
[ "Hf", "Rb", "Te" ]
20
A6B3C
Hf3RbTe6
Rb2 Hf6 Te12
3
[ 1, 1, 1 ]
3
[ [ 4.02239223, 0, 0 ], [ 0, 12.31740445, -4.00481725 ], [ 0, 0.31060231, 12.90029675 ] ]
agm006007032
[ [ 3.0167941725, 7.913598448098662, 9.049530246741211 ], [ 1.0055980575, 4.714408311901338, -0.15405074674121008 ], [ 3.0167941725, 4.5133929057822675, 4.684905261749256 ], [ 1.0055980575, 8.114613854217732, 4.210574238250746 ], [ 3.0167941725, 9.124333416271721, 0.9896981017119925 ], [ 1.0055980575, 3.5036733437282788, 7.905781398288008 ], [ 3.0167941725, 12.08560009938431, 7.116918775822313 ], [ 1.0055980575, 0.5424066606156905, 1.7785607241776877 ], [ 3.0167941725, 2.1607800256396894, 6.321745516035948 ], [ 1.0055980575, 10.467226734360311, 2.5737339839640523 ], [ 3.0167941725, 1.7190954932735176, 0.03432351986614503 ], [ 1.0055980575, 10.90891126672648, 8.861155980133855 ], [ 3.0167941725, 9.470203079621841, 5.749420542353333 ], [ 1.0055980575, 3.1578036803781586, 3.1460589576466673 ], [ 3.0167941725, 6.676602573637193, 2.603667934438278 ], [ 1.0055980575, 5.951404186362806, 6.291811565561724 ], [ 3.0167941725, 4.461447100982666, 9.682475927580992 ], [ 1.0055980575, 8.166559659017333, -0.7869964275809926 ], [ 3.0167941725, 11.70444794124094, -0.581091319724838 ], [ 1.0055980575, 0.9235588187590609, 9.476570819724838 ] ]
[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}]
[ "Rb", "Rb", "Hf", "Hf", "Hf", "Hf", "Hf", "Hf", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te" ]
2023-11-16 06:57:59
[ 0.3, 0.1, 0.6 ]
[ [ 1.1379559, 0, 0 ], [ 0, 1.2517753, 0.05983354 ], [ 0, 0.05983347, 1.1662209 ] ]
-115.68408
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, -0.00368851, 0.00108653 ], [ 0, 0.00368851, -0.00108653 ], [ 0, -0.00374396, 0.00352855 ], [ 0, 0.00374396, -0.00352855 ], [ 0, 0.00332082, -0.0004645 ], [ 0, -0.00332082, 0.0004645 ], [ 0, 0.0016366, -0.00084334 ], [ 0, -0.0016366, 0.00084334 ], [ 0, 0.00217995, -0.001685 ], [ 0, -0.00217995, 0.001685 ], [ 0, -0.00327934, 0.00559647 ], [ 0, 0.00327934, -0.00559647 ], [ 0, 0.00036691, 0.00210201 ], [ 0, -0.00036691, -0.00210201 ], [ 0, 0.00647276, 0.00378455 ], [ 0, -0.00647276, -0.00378455 ], [ 0, 0.00047924, -0.0038317 ], [ 0, -0.00047924, 0.0038317 ], [ 0, 0.00250875, -0.0057388 ], [ 0, -0.00250875, 0.0057388 ] ]
-0.000001
5.380019
pbe
true
285884cfeb061f168b2760e1be31118a_11_Rb2Hf6Te12
[ "Hf", "Re", "Zn" ]
8
A2BC
HfRe2Zn
Hf2 Zn2 Re4
3
[ 1, 1, 1 ]
3
[ [ 7.31077078, 0, 0 ], [ 0, 7.31077078, 0 ], [ 3.65538539, 3.65538539, 2.60892694 ] ]
agm002904943
[ [ 5.2342981846501, 1.827692695, 0.652231735 ], [ 2.0764725953498995, 5.483078085, 0.652231735 ], [ 5.483078085000001, 5.7318579853499, 1.956695205 ], [ 9.138463475, 8.889683574650102, 1.956695205 ], [ 3.65538539, 3.65538539, 0 ], [ 3.65538539, 7.31077078, 1.30446347 ], [ 0, 0, 0 ], [ 7.31077078, 3.65538539, 1.30446347 ] ]
[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Re", "Re", "Re", "Re", "Zn", "Zn", "Hf", "Hf" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ 4.3500276, 0, 0 ], [ 0, 4.3500276, 0 ], [ 0, 0, 3.3497922 ] ]
-66.297512
[ 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ -0.03629483, 0, 0 ], [ 0.03629483, 0, 0 ], [ 0, 0.03629483, 0 ], [ 0, -0.03629483, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000001
10.288501
pbe
true
49cad7207e29a93061ec8ca35b5c176f_122_Hf2Zn2Re4
[ "Hf", "Sb", "Ta" ]
4
A2BC
HfSbTa2
Hf1 Sb1 Ta2
3
[ 1, 1, 1 ]
3
[ [ 0, 3.397468, 3.397468 ], [ 3.397468, 0, 3.397468 ], [ 3.397468, 3.397468, 0 ] ]
oqmd-2333239
[ [ 1.6987299999999992, 1.6987299999999992, 1.6987299999999992 ], [ 3.39747, 3.397469999999997, 3.3974700000000007 ], [ 0, 0, 0 ], [ 5.0962, 5.096199999999996, 5.0962 ] ]
[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}]
[ "Hf", "Sb", "Ta", "Ta" ]
2024-11-01 00:00:00
[ 0.25, 0.25, 0.5 ]
[ [ 8.59013, 0, 0 ], [ 0, 8.59013, 0 ], [ 0, 0, 8.59013 ] ]
-37.3516
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000792
null
pbe
true
ee86456f0022a20c127cb7ebd0139b7e_216_Hf1Ta2Sb1
[ "Hf", "Sb", "W" ]
5
A3BC
HfSbW3
Hf1 Sb1 W3
3
[ 1, 1, 1 ]
3
[ [ 4.86967133, 0, 0 ], [ 0, 4.86967133, 0 ], [ 0, 0, 4.86967133 ] ]
agm002588293
[ [ 2.434835665, 2.434835665, 2.434835665 ], [ 0, 0, 0 ], [ 0, 2.434835665, 0 ], [ 0, 0, 2.434835665 ], [ 2.434835665, 0, 0 ] ]
[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}]
[ "Sb", "Hf", "W", "W", "W" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.6 ]
[ [ 4.915307, 0, 0 ], [ 0, 4.915307, 0 ], [ 0, 0, 4.915307 ] ]
-40.921813
[ 0, 0, 0, 0, 0.001 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
6.268919
pbe
true
0779a42968acb3a89ea1e150ad8cf36b_221_Hf1Sb1W3
[ "Hf", "Si", "V" ]
5
A3BC
HfSiV3
Hf1 V3 Si1
3
[ 1, 1, 1 ]
3
[ [ 4.59161093, 0, 0 ], [ 0, 4.59161093, 0 ], [ 0, 0, 4.59161093 ] ]
agm002599678
[ [ 2.295805465, 2.295805465, 2.295805465 ], [ 0, 0, 0 ], [ 0, 2.295805465, 0 ], [ 0, 0, 2.295805465 ], [ 2.295805465, 0, 0 ] ]
[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]
[ "Si", "Hf", "V", "V", "V" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.6 ]
[ [ 1.7359201, 0, 0 ], [ 0, 1.7359201, 0 ], [ 0, 0, 1.7359201 ] ]
-34.017368
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000048
7.09491
pbe
true
aba4f85c13f7b0eb1d06aeb76eaa7b4a_221_Hf1V3Si1
[ "Hg", "Ho", "Mg" ]
20
A5B3C2
Hg2Ho3Mg5
Ho6 Mg10 Hg4
3
[ 1, 1, 1 ]
3
[ [ 6.25369674, 5e-7, -1.9e-7 ], [ 3.12684902, 8.96072428, -1.47923065 ], [ 3.12684431, 0.95173051, 9.03199534 ] ]
agm003344938
[ [ 1.563424185, 1.25e-7, -4.75e-8 ], [ 4.690272555, 3.75e-7, -1.425e-7 ], [ 6.253693394632438, 4.228588122435556, 7.499234060053619 ], [ 6.2536966753675625, 5.683867167564443, 0.05353043994638095 ], [ 9.380544189861975, 8.35250520111171, 2.0868909173477457 ], [ 3.1268458801380237, 1.5599500888882916, 5.465873582652254 ], [ 4.690270849999999, 4.9562275200000006, 3.7763822974999997 ], [ 7.81711922, 4.95622777, 3.7763822025 ], [ 7.81711838998912, 7.368968210834736, 5.614762560478155 ], [ 7.817120050010879, 2.5434873291652647, 1.9380018445218439 ], [ 4.690271680010879, 2.543487079165265, 1.938001939521844 ], [ 4.69027001998912, 7.368967960834736, 5.614762655478155 ], [ 3.126847769961583, 5.06385131614025, 1.3169157118533015 ], [ 9.380542300038416, 4.848603973859751, 6.235848788146698 ], [ 6.2536947302075045, 2.6135032955034387, 4.5328208840988395 ], [ 6.253695339792496, 7.298951994496562, 3.0199436159011612 ], [ 3.126848732119544, 6.413076885428237, -0.9684449784156776 ], [ 9.380541337880455, 3.499378404571764, 8.521209478415678 ], [ 6.253693813656727, 0.7681287404825803, 6.440142173440433 ], [ 6.2536962563432725, 9.14432654951742, 1.1126223265595658 ] ]
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}]
[ "Ho", "Ho", "Ho", "Ho", "Ho", "Ho", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Hg", "Hg", "Hg", "Hg" ]
2023-11-16 06:57:59
[ 0.2, 0.3, 0.5 ]
[ [ 1.4105291, 1e-7, -7.6e-7 ], [ 1e-7, 1.6138362, 0.02850302 ], [ -7.6e-7, 0.02850302, 1.5981464 ] ]
-46.334792
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, -0.00085651, 0.00008357 ], [ 0, 0.00085651, -0.00008357 ], [ 0, -0.00014672, -0.00084798 ], [ 0, 0.00014672, 0.00084798 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, -0.00159414, -0.00121465 ], [ 0, 0.00159414, 0.00121465 ], [ 0, 0.00159414, 0.00121465 ], [ 0, -0.00159414, -0.00121465 ], [ -1e-8, 0.00046455, 0.01140441 ], [ 1e-8, -0.00046455, -0.01140441 ], [ 0, 0.0111188, -0.00257851 ], [ 0, -0.0111188, 0.00257851 ], [ 0, 0.00072118, -0.00504318 ], [ 0, -0.00072118, 0.00504318 ], [ 0, -0.00467098, 0.00203365 ], [ 0, 0.00467098, -0.00203365 ] ]
-0.000144
13.584254
pbe
true
c696f5559217181aefff04207eaa858b_72_Ho6Mg10Hg4
[ "Hg", "Ho", "Pr" ]
6
A3B2C
Hg3Ho2Pr
Pr1 Ho2 Hg3
3
[ 1, 1, 1 ]
3
[ [ 3.74917399, 0, 0 ], [ 0, 3.74917399, 0 ], [ 0, 0, 11.34076323 ] ]
agm003434704
[ [ 1.874586995, 1.874586995, 5.670381615 ], [ 1.874586995, 1.874586995, 9.503181485693911 ], [ 1.874586995, 1.874586995, 1.8375817443060882 ], [ 0, 0, 0 ], [ 0, 0, 7.755145387183212 ], [ 0, 0, 3.585617842816787 ] ]
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}]
[ "Pr", "Ho", "Ho", "Hg", "Hg", "Hg" ]
2023-11-16 06:57:59
[ 0.5, 0.3333333333333333, 0.16666666666666666 ]
[ [ 2.45545, 0, 0 ], [ 0, 2.45545, 0 ], [ 0, 0, 2.637299 ] ]
-17.693727
[ 0.26, 0.085, 0.085, 0.007, 0.016, 0.016 ]
[ [ 0, 0, 0 ], [ 0, 0, 0.00338363 ], [ 0, 0, -0.00338363 ], [ 0, 0, 0 ], [ 0, 0, 0.00125717 ], [ 0, 0, -0.00125717 ] ]
0.800185
5.772912
pbe
true
eeb08d33f19089958201e628b7b7b76c_123_Pr1Ho2Hg3
[ "Hg", "In", "Mg" ]
20
A7B2C
Hg7In2Mg
Mg2 In4 Hg14
3
[ 1, 1, 1 ]
3
[ [ 7.21563776, 0.00000939, 3.51888284 ], [ 2.82254844, 8.19361206, 3.36972088 ], [ 0.11015682, -0.01702312, 8.93159049 ] ]
agm005837800
[ [ 0.8446023179007227, 2.035635830263476, 7.568602393994224 ], [ 9.303740702099278, 6.140962499736523, 8.251591816005774 ], [ 7.542301151066297, 7.417374418522679, 11.757803735058575 ], [ 6.271948376599623, 3.3290801216491013, 5.702732169909683 ], [ 3.8763946434003773, 4.847518208350898, 10.117462040090317 ], [ 2.6060418689337026, 0.7592239114773198, 4.062390474941425 ], [ 6.570888042130633, 4.488528545921404, 11.773538314263357 ], [ 6.857666687235409, 0.4002362583823864, 6.477848978890848 ], [ 4.524078965108861, 7.527461298788524, 12.277921194275832 ], [ 3.717195423010804, 1.8362265808067955, 6.888130315343803 ], [ 5.243685272944203, 2.0356496666395847, 9.713925132712507 ], [ 7.720551321854338, 3.4391729958400363, 8.401197602496513 ], [ 2.0771866162780173, 2.2350340349062905, 10.251060907556345 ], [ 8.071156403721984, 5.941564295093709, 5.569133302443653 ], [ 2.4277916981456613, 4.737425334159964, 7.418996607503487 ], [ 4.904657747055796, 6.1409486633604145, 6.106269077287491 ], [ 6.431147596989196, 6.340371749193204, 8.932063894656197 ], [ 5.624264054891138, 0.6491370312114761, 3.5422730157241675 ], [ 3.2906763327645914, 7.776362071617614, 9.342345231109153 ], [ 3.577454977869367, 3.6880697840785954, 4.046655895736643 ] ]
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}]
[ "Mg", "Mg", "In", "In", "In", "In", "Hg", "Hg", "Hg", "Hg", "Hg", "Hg", "Hg", "Hg", "Hg", "Hg", "Hg", "Hg", "Hg", "Hg" ]
2023-11-16 06:57:59
[ 0.7, 0.2, 0.1 ]
[ [ 6.261265, 0.01288936, -0.09944792 ], [ 0.01288943, 6.186615, -0.02638441 ], [ -0.09944792, -0.02638427, 6.4167123 ] ]
-18.695863
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0.01039846, 1e-8, 0.00507106 ], [ -0.01039846, -1e-8, -0.00507106 ], [ -0.00211702, 0.00404449, 0.0002795 ], [ 0.00108331, 0.0040445, 0.00184022 ], [ -0.00108331, -0.0040445, -0.00184022 ], [ 0.00211702, -0.00404449, -0.0002795 ], [ 0.0024591, -0.00094451, 0.00228344 ], [ -0.0033134, -0.00094452, -0.00053166 ], [ 0.00094041, 0.00082501, 0.00110439 ], [ 0.00060623, 0.00289343, -0.00103585 ], [ -0.00274047, 0, -0.00133646 ], [ -0.00144925, 0.000825, -0.00006098 ], [ -0.00044294, -0.00289343, 0.00111549 ], [ 0.00044294, 0.00289343, -0.00111549 ], [ 0.00144925, -0.000825, 0.00006098 ], [ 0.00274047, 0, 0.00133646 ], [ -0.00060623, -0.00289343, 0.00103585 ], [ -0.00094041, -0.00082501, -0.00110439 ], [ 0.0033134, 0.00094452, 0.00053166 ], [ -0.0024591, 0.00094451, -0.00228344 ] ]
0
7.165756
pbe
true
d5636eb49c3e84995487f67398a6379a_15_Mg2In4Hg14
[ "Hg", "In", "Sb" ]
8
A2BC
HgIn2Sb
In4 Hg2 Sb2
3
[ 1, 1, 1 ]
3
[ [ 8.51767559, 0, 0 ], [ 0, 8.51767559, 0 ], [ 4.2588378, 4.2588378, 3.1043055 ] ]
agm002840738
[ [ 4.258837795, 4.258837795, 0 ], [ 4.2588377975, 8.5176755925, 1.55215275 ], [ 0, 0, 0 ], [ 8.5176755925, 4.2588377975, 1.55215275 ], [ 6.282724652255286, 2.12941889875, 0.776076375 ], [ 2.2349509402447145, 6.38825669375, 0.776076375 ], [ 6.38825669625, 6.4937887377447145, 2.328229125 ], [ 10.64709449125, 10.541562449755286, 2.328229125 ] ]
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}]
[ "Sb", "Sb", "Hg", "Hg", "In", "In", "In", "In" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ 4.9759793, 0, 0 ], [ 0, 4.9759793, 0 ], [ 0, 0, 3.200063 ] ]
-19.548119
[ 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.01562692, 0, 0 ], [ 0.01562692, 0, 0 ], [ 0, 0.01562692, 0 ], [ 0, -0.01562692, 0 ] ]
-0
3.875993
pbe
true
8bbaec133ca134053de747defa58a976_122_In4Hg2Sb2
[ "Hg", "K", "Na" ]
11
A7B2C2
Hg2K7Na2
K7 Na2 Hg2
3
[ 1, 1, 1 ]
3
[ [ 7.14765231, -0.1519938, -0.92939469 ], [ -1.37838096, 9.19254522, -3.45753857 ], [ 0.16196165, -0.14150786, 9.91519696 ] ]
agm005568719
[ [ 0.4054932451276354, 8.769578939383784, 0.19311307562146587 ], [ 4.62276861272937, 5.601221693200814, -2.5041405805179404 ], [ 5.525739754872364, 0.12946462061621594, 5.335150624378533 ], [ 1.3084643872706283, 3.297821866799185, 8.03240428051794 ], [ 0, 0, 0 ], [ 5.271906176092052, 2.799861194344974, 1.3470325851671743 ], [ 0.6593268239079482, 6.099182365655025, 4.1812311148328245 ], [ 2.771324614716345, 5.626877232272339, 1.0773551675556847 ], [ 3.159908385283655, 3.2721663277276596, 4.4509085324443145 ], [ 4.328170015102176, 6.173639509704133, 3.8106048104344614 ], [ 1.6030629848978244, 2.7254040502958667, 1.717658889565538 ] ]
[{"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}]
[ "K", "K", "K", "K", "K", "K", "K", "Na", "Na", "Hg", "Hg" ]
2023-11-16 06:57:59
[ 0.18181818181818182, 0.6363636363636364, 0.18181818181818182 ]
[ [ 1.268552, 0.00606156, 0.01931832 ], [ 0.00606153, 1.3766494, -0.01667255 ], [ 0.0193183, -0.01667255, 1.3856729 ] ]
-11.142752
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ -0.00331662, -0.000744, -0.00211284 ], [ 0.00301331, 0.00258201, -0.00052044 ], [ 0.00331662, 0.000744, 0.00211284 ], [ -0.00301331, -0.00258201, 0.00052044 ], [ 0, 0, 0 ], [ 0.0045459, -0.00070136, -0.00101316 ], [ -0.0045459, 0.00070136, 0.00101316 ], [ -0.00002626, 0.00015911, -0.00022796 ], [ 0.00002626, -0.00015911, 0.00022796 ], [ -0.0034186, 0.00250921, 0.00214518 ], [ 0.0034186, -0.00250921, -0.00214518 ] ]
-0
6.755182
pbe
true
eec41a0dae7d10341985dc59da961649_12_K7Na2Hg2
[ "Hg", "La", "Pb" ]
10
A3BC
HgLaPb3
La2 Hg2 Pb6
3
[ 1, 1, 1 ]
3
[ [ 6.33072111, 0, 0 ], [ 0, 7.2838113, -2.15821395 ], [ 0, 0.58333704, 7.57439609 ] ]
agm005875586
[ [ 1.5826802775, 2.286857776307516, 5.099988700584146 ], [ 4.7480408325, 5.580290563692484, 0.3161934394158533 ], [ 1.5826802775, 4.172735135828576, 2.3607036572768743 ], [ 4.7480408325, 3.6944132041714233, 3.0554784827231254 ], [ 1.5826802775, 7.159153299298469, 0.7781571568496074 ], [ 1.5826802775, 4.5852845016665285, -0.9938370964255266 ], [ 4.7480408325, 3.2818638383334706, 6.410019236425526 ], [ 4.7480408325, 0.70799504070153, 4.638024983150392 ], [ 0, 0, 0 ], [ 3.165360555, 0, 0 ] ]
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}]
[ "La", "La", "Hg", "Hg", "Pb", "Pb", "Pb", "Pb", "Pb", "Pb" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.6 ]
[ [ 4.150582, 0, 0 ], [ 0, 4.14144, -0.05236332 ], [ 0, -0.05236332, 4.1814466 ] ]
-33.617664
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, -0.00247657, 0.00359728 ], [ 0, 0.00247657, -0.00359728 ], [ 0, 0.00101021, -0.00146736 ], [ 0, -0.00101021, 0.00146736 ], [ 0, 0.00089312, -0.00346019 ], [ 0, 0.00291361, -0.00206917 ], [ 0, -0.00291361, 0.00206917 ], [ 0, -0.00089312, 0.00346019 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000001
5.981058
pbe
true
7e285ef2f8ac75a0a1bb93a2716ef18f_63_La2Hg2Pb6
[ "Hg", "Li", "Mg" ]
6
A3B2C
HgLi3Mg2
Li3 Mg2 Hg1
3
[ 1, 1, 1 ]
3
[ [ 3.0616815, 0, 0 ], [ 0, 4.74175843, 0 ], [ 0, 0, 8.29536736 ] ]
agm003413470
[ [ 1.53084075, 0, 6.915340257456915 ], [ 1.53084075, 0, 1.369993192091776 ], [ 1.53084075, 2.370879215, 5.534943596297943 ], [ 0, 2.370879215, 0.04491493475602561 ], [ 0, 0, 4.11888929854201 ], [ 1.53084075, 2.370879215, 2.7543288254879714 ] ]
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}]
[ "Li", "Li", "Li", "Mg", "Mg", "Hg" ]
2023-11-16 06:57:59
[ 0.16666666666666666, 0.5, 0.3333333333333333 ]
[ [ 1.1051009, 0, 0 ], [ 0, 1.3721867, 0 ], [ 0, 0, 1.3324441 ] ]
-10.073882
[ 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0.00322094 ], [ 0, 0, 0.00235899 ], [ 0, 0, -0.00193313 ], [ 0, 0, 0.00457038 ], [ 0, 0, -0.009177 ], [ 0, 0, 0.00095983 ] ]
0
1.558447
pbe
true
8d8591c90985754668bf406d78486c97_25_Li3Mg2Hg1
[ "Hg", "Mg", "Sr" ]
18
A12B5C
Hg5MgSr12
Sr12 Mg1 Hg5
3
[ 1, 1, 1 ]
3
[ [ 9.12744343, -0.12085681, -3.83551078 ], [ -4.66752207, 8.32485842, -2.63570206 ], [ -0.33546343, 0.12085685, 9.89488816 ] ]
agm006084397
[ [ 0.8436723530871454, 6.864402263917625, 2.861749277370896 ], [ 3.2807855769128538, 1.460456196082375, 0.5619260426291045 ], [ 7.099073662570589, 1.460456335519482, 3.193476430050357 ], [ -2.9746157325705904, 6.864402124480518, 0.23019888994964405 ], [ 3.1355855466362343, 5.482149181343032, -0.8617467435987503 ], [ 0.9888723833637646, 2.8427092786569674, 4.285422063598751 ], [ -0.6462436651639998, 5.603006016872012, 6.657927872789599 ], [ 4.770701595163999, 2.7218524431279882, -3.234252552789598 ], [ 4.461735079637177, 4.785385874633116, 2.9342955319652835 ], [ -0.33727714963717703, 3.539472585366884, 0.4893797880347176 ], [ -2.9818043726449766, 8.003792171259223, 4.326502374183968 ], [ 7.106262302644976, 0.32106628874077725, -0.9028270541839675 ], [ -2.50149275, 4.2228576349999996, 3.6295930500000004 ], [ 2.618340658160242, 5.55436375266234, 5.609006549265265 ], [ 1.5061172718397575, 2.7704947073376602, -2.1853312292652642 ], [ 3.7402720544572845, 1.106940478948589, 3.9811163117279134 ], [ 0.38418587554271433, 7.217917981051412, -0.5574409917279123 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"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"]}]
[ "Sr", "Sr", "Sr", "Sr", "Sr", "Sr", "Sr", "Sr", "Sr", "Sr", "Sr", "Sr", "Mg", "Hg", "Hg", "Hg", "Hg", "Hg" ]
2023-11-16 06:57:59
[ 0.2777777777777778, 0.05555555555555555, 0.6666666666666666 ]
[ [ 1.4675211, 0.05303453, -0.00745162 ], [ 0.05303453, 1.4863603, -0.07695125 ], [ -0.00745162, -0.07695125, 1.4731972 ] ]
-28.608293
[ 0.003, 0.003, 0.003, 0.003, 0.004, 0.004, 0.004, 0.004, 0.006, 0.006, 0.006, 0.006, 0.006, 0.001, 0.001, 0.001, 0.001, 0.003 ]
[ [ 0.00230148, 0.00023185, 0.00131642 ], [ -0.00230148, -0.00023185, -0.00131642 ], [ 0.00204941, -0.00023185, 0.00168218 ], [ -0.00204941, 0.00023185, -0.00168218 ], [ -0.0034382, 0.00193814, 0.00008753 ], [ 0.0034382, -0.00193814, -0.00008753 ], [ 0.00114201, 0.00193814, 0.00324418 ], [ -0.00114201, -0.00193814, -0.00324418 ], [ -0.00193866, -0.00082465, 0.00281294 ], [ 0.00193866, 0.00082465, -0.00281294 ], [ 0.00038435, 0.00344853, -0.00055769 ], [ -0.00038435, -0.00344853, 0.00055769 ], [ 0, 0, 0 ], [ 0.00052738, 0.00097011, -0.00076521 ], [ -0.00052738, -0.00097011, 0.00076521 ], [ -0.00035563, 0.00060035, 0.00051601 ], [ 0.00035563, -0.00060035, -0.00051601 ], [ 0, 0, 0 ] ]
0.382785
23.146343
pbe
true
d8e105f7fa5019fc5896e9af4efdbf04_71_Sr12Mg1Hg5
[ "Hg", "Mo", "Sn" ]
5
A3BC
HgMo3Sn
Sn1 Hg1 Mo3
3
[ 1, 1, 1 ]
3
[ [ 4.91368484, 0, 0 ], [ 0, 4.91368484, 0 ], [ 0, 0, 4.91368484 ] ]
agm002530750
[ [ 0, 2.45684242, 0 ], [ 0, 0, 2.45684242 ], [ 2.45684242, 0, 0 ], [ 2.45684242, 2.45684242, 2.45684242 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]
[ "Mo", "Mo", "Mo", "Hg", "Sn" ]
2023-11-16 06:57:59
[ 0.2, 0.6, 0.2 ]
[ [ 6.1255207, 0, 0 ], [ 0, 6.1255207, 0 ], [ 0, 0, 6.1255207 ] ]
-26.196782
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
5.956551
pbe
true
95d4be6a5f956a282fe2d20c03d35355_221_Sn1Hg1Mo3
[ "Hg", "Nd", "Pm" ]
12
A3B2C
Hg2NdPm3
Pm6 Nd2 Hg4
3
[ 1, 1, 1 ]
3
[ [ 5.25313385, 0, 0 ], [ 0, 7.22951345, 0 ], [ 0, 0, 9.57158183 ] ]
agm005622252
[ [ 0, 3.516757055428525, 9.029295534145158 ], [ 0, 7.1315137804285245, 0.542286295854842 ], [ 2.626566925, 4.850390751389978, 1.6531217766529533 ], [ 2.626566925, 1.2356340263899779, 7.918460053347046 ], [ 0, 2.3813075298697464, 3.120294231630676 ], [ 0, 5.996064254869746, 6.451287598369324 ], [ 2.626566925, 3.712773311632948, 5.328617526649146 ], [ 2.626566925, 0.098016586632948, 4.242964303350854 ], [ 2.626566925, 5.324336976763511, 8.149810450548152 ], [ 2.626566925, 1.709580251763511, 1.421771379451847 ], [ 0, 1.9029747249152915, 6.217932433353924 ], [ 0, 5.517731449915291, 3.353649396646076 ] ]
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}]
[ "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Nd", "Nd", "Hg", "Hg", "Hg", "Hg" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.16666666666666666, 0.5 ]
[ [ 1.6461587, 0, 0 ], [ 0, 1.6924078, 0 ], [ 0, 0, 1.6035366 ] ]
-43.237841
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, -0.00109352, 0.00288107 ], [ 0, -0.00109352, -0.00288107 ], [ 0, 0.0015002, 0.00042602 ], [ 0, 0.0015002, -0.00042602 ], [ 0, -0.00086014, -0.00262322 ], [ 0, -0.00086014, 0.00262322 ], [ 0, 0.00048369, -0.00343868 ], [ 0, 0.00048369, 0.00343868 ], [ 0, -0.00015848, 0.00546843 ], [ 0, -0.00015848, -0.00546843 ], [ 0, 0.00012825, -0.00090372 ], [ 0, 0.00012825, 0.00090372 ] ]
0
7.366241
pbe
true
9eb5d7af25bb1a90eb492163d0bada2d_26_Pm6Nd2Hg4
[ "Hg", "Nd", "Pr" ]
11
A8B2C
Hg8Nd2Pr
Pr1 Nd2 Hg8
3
[ 1, 1, 1 ]
3
[ [ 5.0255549, 2e-8, -1.52601398 ], [ -0.91261491, 6.75516312, -3.00547195 ], [ -0.07849728, -0.21458168, 8.77971249 ] ]
agm005910059
[ [ 2.51277745, 1e-8, -0.76300699 ], [ 0.2965369745188588, 4.582377319080797, 0.9765821225599762 ], [ 3.7379057354811414, 1.9582041409192033, 3.2716444374400226 ], [ 2.4523415383912495, 5.758774240703203, -0.9620363751634677 ], [ 1.1928688842744215, 3.656562089607468, 3.9284315056351082 ], [ 0.6251741939912384, 0.9985135439481656, 2.0588673011315666 ], [ -0.26329648480236245, 1.9504900539377017, -0.8670928555548516 ], [ 3.409263490453862, 5.542067916051814, 2.189360784882413 ], [ 2.8415688001706787, 2.8840193703925117, 0.319796580378871 ], [ 1.5821020842236606, 0.7818004641336768, 5.210265940635417 ], [ 4.297734169247463, 4.590091406062278, 5.115320941568831 ] ]
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}]
[ "Pr", "Nd", "Nd", "Hg", "Hg", "Hg", "Hg", "Hg", "Hg", "Hg", "Hg" ]
2023-11-16 06:57:59
[ 0.7272727272727273, 0.18181818181818182, 0.09090909090909091 ]
[ [ 3.326054, 0.05287656, 0.04588935 ], [ 0.05287651, 3.1418426, 0.17413662 ], [ 0.04588935, 0.17413677, 3.4632442 ] ]
-20.572962
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0.00048318, 0.0014029, 0.00159123 ], [ -0.00048318, -0.0014029, -0.00159123 ], [ 0.00071617, -0.00266117, 0.00235854 ], [ 0.00018154, -0.00263128, 0.00059786 ], [ -0.00096557, -0.00139277, -0.00317987 ], [ 0.00018471, -0.00119768, 0.00060829 ], [ 0.00096557, 0.00139277, 0.00317987 ], [ -0.00018154, 0.00263128, -0.00059786 ], [ -0.00071617, 0.00266117, -0.00235854 ], [ -0.00018471, 0.00119768, -0.00060829 ] ]
0
6.225137
pbe
true
4aac6c068fce5e2347e335be59de49e0_71_Pr1Nd2Hg8
[ "Hg", "Ni", "Zr" ]
8
A2BC
Hg2NiZr
Zr2 Ni2 Hg4
3
[ 1, 1, 1 ]
3
[ [ 7.7736061, 0, 0 ], [ 0, 7.7736061, 0 ], [ 3.88680305, 3.88680305, 2.72368549 ] ]
agm002869553
[ [ 3.88680305, 3.88680305, 0 ], [ 3.88680305, 7.7736061, 1.361842745 ], [ 5.4405883278255605, 1.943401525, 0.6809213725 ], [ 2.33301777217444, 5.830204575000001, 0.6809213725 ], [ 5.830204575, 6.21982082217444, 2.0427641175 ], [ 9.717007625, 9.327391377825561, 2.0427641175 ], [ 0, 0, 0 ], [ 7.7736061, 3.88680305, 1.361842745 ] ]
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"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", "Hg", "Hg", "Hg", "Hg", "Zr", "Zr" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ -2.9434037, 0, 0 ], [ 0, -2.9434037, 0 ], [ 0, 0, 1.0719603 ] ]
-27.944623
[ 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.0096097, 0, 0 ], [ -0.0096097, 0, 0 ], [ 0, -0.0096097, 0 ], [ 0, 0.0096097, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
8.169579
pbe
true
4b2a14cfb3b8c53e3138b1b9fd148880_122_Zr2Ni2Hg4
[ "Hg", "O", "Sm" ]
10
A3BC
HgO3Sm
Sm2 Hg2 O6
3
[ 1, 1, 1 ]
3
[ [ 3.73227428, 0, 0 ], [ 0, 5.91055042, 0 ], [ -1.86613715, 0, 7.23833549 ] ]
agm003726960
[ [ -0.0000018722725749028047, 4.432912815, 4.441033545942106 ], [ 1.8661390022725746, 1.477637605, 2.797301944057895 ], [ 1.8661352650117793, 1.477637605, 6.406709083183049 ], [ 0.0000018649882206191391, 4.432912815, 0.8316264068169505 ], [ 1.8661371148641681, 5.904589925428951, 4.686431866342024 ], [ 1.5135832076108802e-8, 2.949314715428951, 2.5519036236579757 ], [ 1.8661390056223022, 1.477637605, 0.3726568719333522 ], [ 1.5135832076108802e-8, 0.005960494571048999, 2.5519036236579757 ], [ 1.8661371148641681, 2.9612357045710493, 4.686431866342024 ], [ -0.000001875622302095141, 4.432912815, 6.865678618066648 ] ]
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}]
[ "Sm", "Sm", "Hg", "Hg", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.2, 0.6, 0.2 ]
[ [ 0.7504595, 0, 0 ], [ 0, 0.709962, 0 ], [ 0, 0, 0.7893566 ] ]
-55.986547
[ -0.015, -0.015, 0.065, 0.065, 0.2, 0.2, 0.415, 0.2, 0.2, 0.415 ]
[ [ 0, 0, 0.00099388 ], [ 0, 0, -0.00099388 ], [ 0, 0, 0.00167421 ], [ 0, 0, -0.00167421 ], [ 0, 0.00058207, -0.00061749 ], [ 0, 0.00058207, 0.00061749 ], [ 0, 0, -0.00236036 ], [ 0, -0.00058207, 0.00061749 ], [ 0, -0.00058207, -0.00061749 ], [ 0, 0, 0.00236036 ] ]
2.038416
8.924451
pbe
true
59233d4eb53c8a4f63f947fde5ec6b0e_63_Sm2Hg2O6
[ "Hg", "Os", "Si" ]
6
A4BC
HgOsSi4
Si4 Hg1 Os1
3
[ 1, 1, 1 ]
3
[ [ 0, 3.60846754, 3.60846754 ], [ 3.60846754, 0, 3.60846754 ], [ 3.60846754, 3.60846754, 0 ] ]
agm005457181
[ [ 2.695041465136912, 2.695041465136912, 4.521893650947763 ], [ 2.695041465136912, 4.521893650947763, 2.695041465136912 ], [ 4.521893650947763, 4.521893650947763, 4.521893650947763 ], [ 4.521893650947763, 2.695041465136912, 2.695041465136912 ], [ 1.80423377, 1.80423377, 1.80423377 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Si", "Si", "Si", "Si", "Hg", "Os" ]
2023-11-16 06:57:59
[ 0.16666666666666666, 0.16666666666666666, 0.6666666666666666 ]
[ [ 5.7624693, 0, 0 ], [ 0, 5.7624693, 0 ], [ 0, 0, 5.7624693 ] ]
-28.383193
[ 0, 0, 0, 0, 0, 0 ]
[ [ 0.00242366, 0.00242366, -0.00242366 ], [ 0.00242366, -0.00242366, 0.00242366 ], [ -0.00242366, -0.00242366, -0.00242366 ], [ -0.00242366, 0.00242366, 0.00242366 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000016
3.352168
pbe
true
61b129dc560bf17d44e10489a478d13f_216_Si4Hg1Os1
[ "Hg", "Pt", "Re" ]
3
ABC
HgPtRe
Re1 Hg1 Pt1
3
[ 1, 1, 1 ]
3
[ [ 4.64696505, 0, 0 ], [ -2.32348253, 4.02438979, 0 ], [ 0, 0, 2.73870902 ] ]
agm004312303
[ [ 0, 0, 0.304818176990549 ], [ -2.6568158716665968e-8, 2.6829265400812994, 0.5787394712365169 ], [ 2.323482546568159, 1.3414632499187007, 1.8551513991600241 ] ]
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"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"]}]
[ "Hg", "Pt", "Re" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 10.061503, 0, 0 ], [ 0, 10.061503, 0 ], [ 0, 0, 10.363395 ] ]
-16.643977
[ 0.015, 0.173, 0.862 ]
[ [ 0, 0, 0.00101062 ], [ 0, 0, -0.00242815 ], [ 0, 0, 0.00141753 ] ]
1.133719
3.946216
pbe
true
10250727c0d6c2b96f672d9e0fa08c85_156_Re1Hg1Pt1
[ "Hg", "P", "Te" ]
4
A2BC
Hg2PTe
Hg2 Te1 P1
3
[ 1, 1, 1 ]
3
[ [ 11.71030909, -1.5617694, 0.09036543 ], [ 11.71030909, 1.5617694, 0.09036543 ], [ 11.48122122, 0, 2.78571137 ] ]
agm003839479
[ [ 26.6025020405473, 1.0689150597156072e-16, 2.261049469981249 ], [ 8.299337359452702, 4.130796490954935e-18, 0.705392760018751 ], [ 0, 0, 0 ], [ 17.4509197, 0, 1.483221115 ] ]
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "Hg", "Hg", "Te", "P" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 3.7312403, 0, 0.00722037 ], [ 0, 3.6462886, 0 ], [ 0.00722037, 0, 3.6469023 ] ]
-7.098666
[ 0, 0, 0, 0 ]
[ [ 0.00509374, 0, 0.00043294 ], [ -0.00509374, 0, -0.00043294 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
1.794493
pbe
true
3f925454fab48e53248740025673bcf7_166_Hg2Te1P1
[ "Hg", "Pb", "Tl" ]
80
A12B5C3
Hg5Pb3Tl12
Tl48 Hg20 Pb12
3
[ 1, 1, 1 ]
3
[ [ 15.75435207, 0, 0 ], [ -5.25145069, 14.85334557, 0 ], [ -5.25145069, -7.42667278, 12.86337459 ] ]
agm001257421
[ [ 9.190038707500001, 4.64167049125, 1.60792182375 ], [ 9.1900387075, 10.21167508, 1.60792182375 ], [ -1.3128626725000003, 6.49833869, 8.03960911875 ], [ 1.3128626724999999, -0.9283340962499999, 4.82376547125 ], [ 11.8157640525, 1.2500001034254637e-9, 3.2158436475 ], [ 1.3128626725, 7.426672786249999, 3.2158436475 ], [ 3.9385880174999985, 3.750000088231786e-9, 9.6475309425 ], [ -6.5643133625, 7.42667278875, 9.6475309425 ], [ 3.9385880175, 8.35500688625, 8.03960911875 ], [ 6.564313362499999, 0.9283341000000002, 4.82376547125 ], [ -3.9385880175000008, -2.7850022899999995, 11.255452766249999 ], [ -3.9385880175000008, 2.78500229875, 11.255452766249999 ], [ -1.3128626725000003, 3.7133363937499997, 3.2158436475 ], [ -2.625725345, 7.426672785, 0 ], [ 0, 0, 0 ], [ 3.9385880175000008, 2.785002295, 1.60792182375 ], [ 5.2514506899999995, -3.71333639, 6.431687295 ], [ 5.2514506899999995, 7.426672785, 0 ], [ -3.9385880175000008, 8.355006885, 4.82376547125 ], [ 6.5643133625, -4.64167048625, 11.255452766249999 ], [ 6.564313362499999, 6.49833868875, 4.82376547125 ], [ 1.3128626725, -3.7133363887499997, 9.6475309425 ], [ 3.9385880174999985, 11.14000917875, 3.2158436475 ], [ 2.6257253449999993, 3.7133363950000002, 6.431687295 ], [ 7.877176035, 0, 0 ], [ -2.625725345, -3.71333639, 6.431687295 ], [ -1.3128626725000005, 0.92833410125, 8.03960911875 ], [ -1.3128626725000005, 12.06834327625, 1.60792182375 ], [ -5.25145069, 3.7133363950000002, 6.431687295 ], [ 9.1900387075, -0.9283340949999997, 8.03960911875 ], [ 1.312862672499998, 4.641670495, 11.255452766249999 ], [ 6.564313362499998, 3.71333639625, 9.6475309425 ], [ 10.391789715894786, 1.6103693519041937, 0.7627575935570414 ], [ 0.11111171661971966, 5.179088597873576, 5.418445195698011 ], [ 11.477452365394461, 3.336573039883151, 3.5322614378459263 ], [ 6.902625049605537, 2.322594773319054, 1.775999564225284 ], [ 1.9456591197165574, 5.827698997710846, 8.568355558597032 ], [ 10.908497751701727, 7.363057986222594, 2.136668263597032 ], [ -0.974550985394462, 8.44065105294476, 5.30826100207121 ], [ -4.276899547062019, 12.53075079806161, 1.775999564225284 ], [ 0.680066382826962, 9.025646578950203, 8.568355558597032 ], [ 7.471579610783767, 7.4902877339719085, 2.136668263597032 ], [ 7.988287699105211, 3.8579536169166815, 4.655687730774716 ], [ 7.988287751619719, 13.242976070155319, 0.7627575935570414 ], [ -4.57138446471656, 6.620926692663448, 7.19444488855704 ], [ 3.03132182173074, 5.608071114547112, 1.1234262929287893 ], [ -5.362562301590707, 10.995391808169197, 4.655687730774716 ], [ 2.7368369565907056, -2.2475843348721845, 7.4449293943019885 ], [ -0.6800662252834417, 0.7932276966136489, 2.8994258571540734 ], [ 3.031321716701725, 9.308889181624616, 1.0132420993019886 ], [ 6.902625049605537, 11.516772532862834, 3.5322614378459263 ], [ -0.40559647673074023, 5.544456240629625, 1.0132420993019886 ], [ -3.3057915702834424, 8.219900484359634, 9.963948732845926 ], [ 3.6002764879379825, 6.412694521181888, 5.30826100207121 ], [ 7.197109652173036, 8.23241888292952, 7.19444488855704 ], [ 5.65704711421623, -1.8186015177927857, 11.73994829707121 ], [ 1.6511742020620166, 1.0139782688181138, 7.555113587928789 ], [ -1.945658962173038, -0.8057460929295209, 5.668929701442958 ], [ -0.4055964242162333, 9.245274307792787, 1.1234262929287893 ], [ -1.6511743596055393, -4.090099742862833, 9.331113152154073 ], [ 8.557242260283441, -0.7932276943596325, 2.8994258571540734 ], [ 5.657047166730738, 1.8822165493703742, 11.85013249069801 ], [ 2.220128973298272, -1.8822163916246146, 11.85013249069801 ], [ 2.514613733409293, 9.674257124872184, 5.418445195698011 ], [ 5.93151691528344, 6.633445093386351, 9.963948732845926 ], [ 10.614012991590705, -3.568719018169199, 8.207686859225284 ], [ 9.822835154716556, 0.8057460973365528, 5.668929701442958 ], [ -2.736837061619721, -5.816303280155319, 12.100616996442959 ], [ 2.2201288682692595, 1.8186016754528884, 11.73994829707121 ], [ 4.5713843071730365, -1.5989737889502014, 4.295019031402968 ], [ -2.220128920783767, -0.06361494397190955, 10.726706326402967 ], [ -2.7368370091052134, 3.5687191730833177, 8.207686859225284 ], [ 9.528350237062018, -5.104078008061609, 11.087375025774715 ], [ 6.226001675394461, -1.0139782629447596, 7.555113587928789 ], [ -1.6511743596055397, 5.104078016680946, 11.087375025774715 ], [ -5.657047061701726, 0.06361480377740696, 10.726706326402967 ], [ 3.305791570283441, 1.5989737922891536, 4.295019031402968 ], [ -6.226001675394462, 4.09009975011685, 9.331113152154073 ], [ 5.1403389733802785, 2.247584192126424, 7.4449293943019885 ], [ -5.140339025894788, 5.816303438095805, 12.100616996442959 ] ]
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}]
[ "Pb", "Pb", "Pb", "Pb", "Pb", "Pb", "Pb", "Pb", "Pb", "Pb", "Pb", "Pb", "Hg", "Hg", "Hg", "Hg", "Hg", "Hg", "Hg", "Hg", "Hg", "Hg", "Hg", "Hg", "Hg", "Hg", "Hg", "Hg", "Hg", "Hg", "Hg", "Hg", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl" ]
2023-11-16 06:57:59
[ 0.25, 0.15, 0.6 ]
[ [ 3.8997, 0, 0 ], [ 0, 3.8997, 0 ], [ 0, 0, 3.8997 ] ]
-154.76071
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00327462, -0.00067784, 0.00239164 ], [ -0.00327462, 0.0017323, 0.00178285 ], [ -0.00118076, 0.00141813, -0.00367386 ], [ 0.00118076, 0.00389072, 0.00060879 ], [ 0.00173061, 0.00350192, 0.00128222 ], [ -0.00272477, -0.00279894, 0.00128222 ], [ 0.00118076, -0.00247259, -0.00306506 ], [ -0.00118076, -0.00389072, 0.00060879 ], [ -0.00173061, -0.00350192, 0.00128222 ], [ 0.00272477, 0.00279894, 0.00128222 ], [ -0.00327462, -0.00241014, -0.00060879 ], [ -0.00327462, 0.00067784, 0.00239164 ], [ -0.00173061, 0.00286139, 0.00239164 ], [ -0.00272477, 0.00028904, 0.00306506 ], [ 0.00327462, 0.00241014, -0.00060879 ], [ -0.00327462, 0.0017323, -0.00178285 ], [ 0.00173061, -0.00064053, 0.00367386 ], [ -0.00272477, 0.0025099, -0.00178285 ], [ 0.00118076, -0.00141813, -0.00367386 ], [ 0.00272477, -0.0025099, -0.00178285 ], [ 0.00173061, -0.00064053, -0.00367386 ], [ -0.00118076, 0.00247259, -0.00306506 ], [ 0.00173061, -0.00286139, 0.00239164 ], [ -0.00272477, 0.00028904, -0.00306506 ], [ 0.00118076, -0.00247259, 0.00306506 ], [ -0.00173061, 0.00286139, -0.00239164 ], [ 0.00272477, -0.00028904, 0.00306506 ], [ -0.00118076, 0.00141813, 0.00367386 ], [ -0.00173061, 0.00064053, 0.00367386 ], [ -0.00272477, 0.0025099, 0.00178285 ], [ 0.00272477, -0.0025099, 0.00178285 ], [ 0.00327462, -0.0017323, 0.00178285 ], [ -0.00173061, 0.00064053, -0.00367386 ], [ -0.00327462, -0.00241014, 0.00060879 ], [ 0.00173061, -0.00286139, -0.00239164 ], [ 0.00327462, -0.00067784, -0.00239164 ], [ 0.00272477, -0.00028904, -0.00306506 ], [ 0.00173061, 0.00350192, -0.00128222 ], [ -0.00272477, -0.00279894, -0.00128222 ], [ 0.00327462, 0.00241014, 0.00060879 ], [ 0.00118076, 0.00389072, -0.00060879 ], [ -0.00118076, 0.00247259, 0.00306506 ], [ -0.00118076, -0.00389072, -0.00060879 ], [ 0.00272477, 0.00279894, -0.00128222 ], [ -0.00173061, -0.00350192, -0.00128222 ], [ 0.00118076, -0.00141813, 0.00367386 ], [ 0.00327462, -0.0017323, -0.00178285 ], [ -0.00327462, 0.00067784, -0.00239164 ] ]
-0
27.866465
pbe
true
bcdc3ea22746ebcbc622dfb0870d55ec_230_Tl48Hg20Pb12
[ "Hg", "Pd", "Y" ]
10
A7B2C
Hg2Pd7Y
Y1 Hg2 Pd7
3
[ 1, 1, 1 ]
3
[ [ 4.3976274, 0, 0 ], [ 0, 7.90666417, -0.58388085 ], [ 0, -4.08819918, 6.79288559 ] ]
agm003507682
[ [ 0, 0, 0 ], [ 2.1988137, 4.318693686015225, 1.6226981077238747 ], [ 2.1988137, -0.5002286960152251, 4.586306632276125 ], [ 0, 5.64169010552525, 0.8090342201996878 ], [ 0, -1.823225115525251, 5.399970519800313 ], [ 2.1988137, -0.5270149614585274, 1.8873211774291145 ], [ 2.1988137, 4.345479951458527, 4.321683562570885 ], [ 2.1988137, 1.9220809534622485, 0.3811486092718433 ], [ 2.1988137, 1.8963840365377511, 5.827856130728157 ], [ 2.1988137, 1.909232495, 3.10450237 ] ]
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
[ "Y", "Hg", "Hg", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd" ]
2023-11-16 06:57:59
[ 0.2, 0.7, 0.1 ]
[ [ 5.041727, 0, 0 ], [ 0, 5.457505, -0.05955394 ], [ 0, -0.05955394, 5.397342 ] ]
-43.360726
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0.00151195, -0.00092984 ], [ 0, -0.00151195, 0.00092984 ], [ 0, -0.00127552, 0.00078444 ], [ 0, 0.00127552, -0.00078444 ], [ 0, -0.00108156, -0.00152372 ], [ 0, 0.00108156, 0.00152372 ], [ 0, -0.00087189, -0.00165267 ], [ 0, 0.00087189, 0.00165267 ], [ 0, 0, 0 ] ]
0
3.082102
pbe
true
f55ee7562fcb5582dd28d794e9df4c66_65_Y1Hg2Pd7
[ "Hg", "Pm", "Pt" ]
11
A8B2C
Hg2Pm8Pt
Pm8 Hg2 Pt1
3
[ 1, 1, 1 ]
3
[ [ 5.23756858, 0, 0 ], [ 0, 6.96819585, 0.47618777 ], [ -2.61878429, -2.39745326, 8.92015274 ] ]
agm003527168
[ [ 2.2178983335513748e-16, 1.897354724550926, 7.600511375540191 ], [ 2.618781697403553, 6.020187468779991, 3.2055885223165297 ], [ 2.6187842899999993, 3.325109449380874, 5.614983349106901 ], [ 2.6187869349721327, -0.716588856581907, 8.64553586669605 ], [ 2.245791290949484e-17, 1.2456331406191254, 3.7813571608930996 ], [ 0.000002592596446993419, -1.4494448787799905, 6.190751987683471 ], [ 2.61878429, 2.6733878654490746, 1.7958291344598087 ], [ -2.6187842910950753e-8, 5.2873290491286475, 0.7508135634566897 ], [ 2.6187869087842897, 0.28581104616711966, 5.65672182915821 ], [ -0.00000261878428994583, 4.28493154383288, 3.739618680841791 ], [ 2.61878429, 0, 0 ] ]
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"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"]}]
[ "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Hg", "Hg", "Pt" ]
2023-11-16 06:57:59
[ 0.18181818181818182, 0.7272727272727273, 0.09090909090909091 ]
[ [ 1.2944118, 0, 0 ], [ 0, 1.3226539, -0.05766651 ], [ 0, -0.05766629, 1.3705361 ] ]
-48.616115
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, -0.00140964, -0.00057757 ], [ 0, -0.00243078, 0.00009854 ], [ 0, -0.0031534, 0.00002697 ], [ 0, -0.00352669, 0.00313028 ], [ 0, 0.0031534, -0.00002697 ], [ 0, 0.00243078, -0.00009854 ], [ 0, 0.00140964, 0.00057757 ], [ 0, 0.00352669, -0.00313028 ], [ 0, -0.00031232, -0.00341393 ], [ 0, 0.00031232, 0.00341393 ], [ 0, 0, 0 ] ]
-0.000039
10.061212
pbe
true
ec7f345abc33a21f3fed368d7c25b782_12_Pm8Hg2Pt1
[ "Hg", "Pm", "Tl" ]
8
A4B3C
HgPm4Tl3
Pm4 Tl3 Hg1
3
[ 1, 1, 1 ]
3
[ [ 4.43255255, 0, 0 ], [ 0, 4.63519252, 0 ], [ 0, 0, 11.84827594 ] ]
agm003554834
[ [ 2.216276275, 2.31759626, 4.234990050889772 ], [ 0, 2.31759626, 10.252996816403739 ], [ 0, 0, 1.6256220843475644 ], [ 2.216276275, 0, 7.574062290093618 ], [ 0, 2.31759626, 6.978909527144568 ], [ 0, 0, 4.869887500031274 ], [ 2.216276275, 0, 10.802627199880956 ], [ 2.216276275, 2.31759626, 1.054008409691272 ] ]
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}]
[ "Pm", "Pm", "Pm", "Pm", "Tl", "Tl", "Tl", "Hg" ]
2023-11-16 06:57:59
[ 0.125, 0.5, 0.375 ]
[ [ 2.2093327, 0, 0 ], [ 0, 2.4300008, 0 ], [ 0, 0, 2.313254 ] ]
-29.244717
[ 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, -0.00476922 ], [ 0, 0, -0.00164273 ], [ 0, 0, 0.00197925 ], [ 0, 0, 0.00317828 ], [ 0, 0, -0.00182843 ], [ 0, 0, 0.00255349 ], [ 0, 0, 0.00207073 ], [ 0, 0, -0.00154138 ] ]
0.000172
8.396703
pbe
true
7e8ab803761163e7e96fb734c2bb8aae_25_Pm4Tl3Hg1
[ "Hg", "Pt", "Y" ]
8
A2BC
Hg2PtY
Y2 Hg4 Pt2
3
[ 1, 1, 1 ]
3
[ [ 8.2672522, 0, 0 ], [ 0, 8.2672522, 0 ], [ 4.1336261, 4.1336261, 2.82445216 ] ]
agm002903513
[ [ 4.1336261, 4.1336261, 0 ], [ 4.1336261, 8.2672522, 1.41222608 ], [ 6.524800160405768, 2.06681305, 0.70611304 ], [ 1.742452039594232, 6.20043915, 0.70611304 ], [ 6.200439149999999, 5.876078139594232, 2.11833912 ], [ 10.33406525, 10.658426260405768, 2.11833912 ], [ 0, 0, 0 ], [ 8.2672522, 4.1336261, 1.41222608 ] ]
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
[ "Y", "Y", "Hg", "Hg", "Hg", "Hg", "Pt", "Pt" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 3.7572672, 0, 0 ], [ 0, 3.7572672, 0 ], [ 0, 0, 8.188031 ] ]
-28.461434
[ 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.01503657, 0, 0 ], [ 0.01503657, 0, 0 ], [ 0, 0.01503657, 0 ], [ 0, -0.01503657, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
6.431957
pbe
true
d590b0d24ac313f9abe40a044e38ab3b_122_Y2Hg4Pt2
[ "Hg", "Se", "Sr" ]
4
A2BC
HgSe2Sr
Sr1 Hg1 Se2
3
[ 1, 1, 1 ]
3
[ [ 4.2126764, -0.01300874, 0 ], [ 0.00907533, 4.21268671, 0 ], [ 0, 0, 7.31565733 ] ]
agm004207499
[ [ 2.110875865, 2.099838985, 5.4867429974999995 ], [ 0, 0, 0.6043326985955195 ], [ 0, 0, 3.0534959664044803 ], [ 2.110875865, 2.099838985, 1.8289143325 ] ]
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]
[ "Hg", "Se", "Se", "Sr" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ 1.3590825, 0.20519385, 0 ], [ 0.20519385, 1.3569311, 0 ], [ 0, 0, 1.6397935 ] ]
-12.695121
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0.00701997 ], [ 0, 0, -0.00701997 ], [ 0, 0, 0 ] ]
0.000001
-0.011602
pbe
true
e258ee2dc2a4ac7a5dab18799f0317ad_123_Sr1Hg1Se2
[ "Hg", "Si", "Te" ]
5
A3BC
HgSiTe3
Si1 Hg1 Te3
3
[ 1, 1, 1 ]
3
[ [ 9.09659647, 1.43714939, 0 ], [ -0.60636143, 3.83944229, 0 ], [ 0, 0, 17.58322303 ] ]
agm2000080984
[ [ 6.784662359403739, 4.852659079425598, 9.212410219406044 ], [ 4.1115670320954125, 4.430717224647451, 10.051610155757993 ], [ 1.9952061856664576, 2.1319795933032393, 9.255884210851029 ], [ 6.606385603984051, 2.857240234001144, 7.468387120870732 ], [ 0.04482192222204879, 3.79155954426937, 7.96976604394643 ] ]
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Si", "Hg", "Te", "Te", "Te" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.6 ]
[ [ 0.3455989, -0.0056429, -0.01092472 ], [ -0.0056429, 0.32448956, 0.00453247 ], [ -0.01092471, 0.00453249, -0.05248421 ] ]
-14.178163
[ 0, 0, 0, 0, 0 ]
[ [ 0.00013477, 0.00247601, -0.00010719 ], [ -0.00279915, 0.00013031, -0.00079526 ], [ 0.00152027, -0.00103539, 0.00235256 ], [ 0.00055131, -0.00001992, 0.00152958 ], [ 0.0005928, -0.00155102, -0.00297969 ] ]
0
-0.05485
pbe
true
001785c89873f703609e8010a5267867_6_Si1Hg1Te3
[ "Ho", "Ir", "Zn" ]
8
A4B3C
Ho4Ir3Zn
Ho4 Zn1 Ir3
3
[ 1, 1, 1 ]
3
[ [ 4.66520239, 0, 1.37711275 ], [ 2.12934694, 4.15090213, 1.37711275 ], [ 0.04489605, 0.02742722, 8.43854498 ] ]
agm005948779
[ [ 0, 0, 0 ], [ 1.7229708608875582, 1.0525911597932545, 2.7537905877464506 ], [ 5.116474519112442, 3.125738190206746, 8.438979892253549 ], [ 3.4197226900000004, 2.089164675, 5.59638524 ], [ 5.9466878859629295, 3.6329294074920706, 5.626491371291585 ], [ 2.604410074851083, 1.5910765758952692, 8.358403527639982 ], [ 0.8927574940370706, 0.54539994250793, 5.566279108708415 ], [ 4.2350353051489185, 2.5872527741047313, 2.834366952360017 ] ]
[{"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Zn", "Ir", "Ir", "Ir", "Ho", "Ho", "Ho", "Ho" ]
2023-11-16 06:57:59
[ 0.5, 0.375, 0.125 ]
[ [ 1.1205368, 0.00581525, -0.03224754 ], [ 0.00581525, 1.1145701, -0.01970063 ], [ -0.03224754, -0.01970063, 1.2202618 ] ]
-52.342419
[ 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0.00005919, 0.00003616, -0.00020053 ], [ -0.00005919, -0.00003616, 0.00020053 ], [ 0, 0, 0 ], [ 0.00001835, 0.00001121, -0.00006216 ], [ 0.00116831, 0.00071374, -0.00395784 ], [ -0.00001835, -0.00001121, 0.00006216 ], [ -0.00116831, -0.00071374, 0.00395784 ] ]
-0.000001
2.246954
pbe
true
9656aa03bee5ad50da8ce7ad961785d9_166_Ho4Zn1Ir3
[ "Ho", "La", "Nd" ]
4
A2BC
HoLaNd2
La1 Nd2 Ho1
3
[ 1, 1, 1 ]
3
[ [ 3.65936438, 0.00148182, 0.0005558 ], [ 1.83096548, 3.1683616, 0.0005558 ], [ 1.83184115, 1.05761398, 11.963259 ] ]
agm005128241
[ [ 3.657818765512977, 2.111842647079251, 5.9881752940813024 ], [ 1.8363138460451978, 1.0601962923105062, 9.069503185779164 ], [ 1.8319723838892896, 1.0576897480684295, 2.8886875068251765 ], [ 5.488990782808087, 3.169070303229399, 11.963436950044244 ] ]
[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}]
[ "La", "Nd", "Nd", "Ho" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
[ [ 0.99941367, 0.00507103, 0.00453407 ], [ 0.00507103, 0.99355817, 0.00261775 ], [ 0.00453409, 0.00261776, 1.0135607 ] ]
-18.959113
[ 0, 0, 0, 0 ]
[ [ -0.00310981, -0.00179545, 0.00109723 ], [ 0.0043935, 0.00253659, -0.00162096 ], [ 0.00015114, 0.00008726, 0.00036641 ], [ -0.00143483, -0.0008284, 0.00015732 ] ]
0.00005
5.88237
pbe
true
e69e8caaf7841036a4a5a7e0b3ebc502_8_La1Nd2Ho1
[ "Ho", "La", "Pr" ]
19
A12B5C2
Ho12La5Pr2
La5 Pr2 Ho12
3
[ 1, 1, 1 ]
3
[ [ 6.47496656, 0.52511639, -0.1339415 ], [ -2.08735848, 10.06278949, -5.89325018 ], [ -0.75318801, -2.45486532, 11.01520033 ] ]
agm005659252
[ [ -0.39206841023395544, 5.185532254068209, 2.1774197048489126 ], [ 2.9556849520997934, 6.841589754856887, -3.1165832974390666 ], [ -0.376594005, -1.22743266, 5.507600165 ], [ 0.6787351179002077, 1.291450805143112, 8.104591947439069 ], [ 4.026488480233956, 2.9475083059317906, 2.810588945151088 ], [ 4.262913757216723, 1.4435686207936766, -0.19682504865561362 ], [ -0.6284936872167227, 6.6894719392063235, 5.184833698655614 ], [ 4.094755418748351, 10.026026909022377, -3.7675500473459467 ], [ -1.152613100369468, 3.9781614365870275, 6.653513451705888 ], [ 2.6770518281278473, 5.662528628181071, 4.4087750708231574 ], [ -0.0022401965756347537, 6.423900520385095, -1.0195659352880584 ], [ 2.8445346469705868, 5.796607563925129, 0.7268465229452581 ], [ 0.7478573433352969, 8.62989011253509, 1.4285646590087888 ], [ 2.886556251698144, -0.4968500776514795, 3.559444124932711 ], [ 3.636660266575635, 1.7091400396149055, 6.007574585288059 ], [ 0.7898854230294132, 2.3364329960748726, 4.2611621270547415 ], [ 4.787033170369469, 4.1548791234129725, -1.6655048017058869 ], [ 0.9573682418721535, 2.4705119318189284, 0.5792335791768438 ], [ -0.46033326138986963, -1.8929964118118676, 8.755564590596128 ] ]
[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}]
[ "La", "La", "La", "La", "La", "Pr", "Pr", "Ho", "Ho", "Ho", "Ho", "Ho", "Ho", "Ho", "Ho", "Ho", "Ho", "Ho", "Ho" ]
2023-11-16 06:57:59
[ 0.631578947368421, 0.2631578947368421, 0.10526315789473684 ]
[ [ 0.97222996, -0.00212468, -0.00422998 ], [ -0.00212464, 1.0152609, -0.00209466 ], [ -0.00423014, -0.0020946, 0.92557895 ] ]
-86.818605
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ -0.00393478, -0.00234782, 0.00042597 ], [ -0.00006719, -0.00400733, 0.0018945 ], [ 0, 0, 0 ], [ 0.00006719, 0.00400733, -0.0018945 ], [ 0.00393478, 0.00234782, -0.00042597 ], [ -0.0000551, 0.00059821, 0.00374227 ], [ 0.0000551, -0.00059821, -0.00374227 ], [ 0.00310576, -0.00022027, 0.00062141 ], [ -0.00190635, -0.00269432, -0.00080149 ], [ -0.00089596, -0.00254628, 0.0006223 ], [ -0.0018938, 0.00258379, 0.00121943 ], [ -0.00079602, -0.00103834, -0.00560306 ], [ 0.00025549, -0.00027399, -0.0006389 ], [ -0.00025549, 0.00027399, 0.0006389 ], [ 0.0018938, -0.00258379, -0.00121943 ], [ 0.00079602, 0.00103834, 0.00560306 ], [ 0.00190635, 0.00269432, 0.00080149 ], [ 0.00089596, 0.00254628, -0.0006223 ], [ -0.00310576, 0.00022027, -0.00062141 ] ]
-0
26.200855
pbe
true
ebcde728dea76124895dea270644e674_2_La5Pr2Ho12
[ "Ho", "Mn", "P" ]
18
A5B3C
HoMn5P3
Ho2 Mn10 P6
3
[ 1, 1, 1 ]
3
[ [ 3.74099773, 0, 0 ], [ -1.87049886, 5.96994349, 0 ], [ 0, 0, 10.80320285 ] ]
agm005955018
[ [ 1.8704988870122956, 3.9488871191168515, 8.1024021375 ], [ -1.701229559833653e-8, 2.0210563708831493, 2.7008007125 ], [ 1.8705007198716488, 3.6748255203157703, 4.763125330547204 ], [ -0.0000018498716487742857, 2.29511796968423, 10.164726755547205 ], [ 0, 0, 5.401601425 ], [ 0, 0, 0 ], [ 4.515413042882846e-9, 5.391352208201144, 1.590291093199732 ], [ 1.8704988654845869, 0.5785912817988562, 9.212911756800269 ], [ 1.8704988654845869, 0.5785912817988562, 6.991892518199732 ], [ 1.8705007198716488, 3.6748255203157703, 0.6384760944527955 ], [ -0.0000018498716487742857, 2.29511796968423, 6.040077519452796 ], [ 4.515413042882846e-9, 5.391352208201144, 3.8113103318002683 ], [ -1.4934574828549958e-8, 4.501831523682668, 10.248253446894436 ], [ 1.8705007393512492, 4.599703075754902, 2.7008007125 ], [ -1.4934574828549958e-8, 4.501831523682668, 5.956550828105564 ], [ 1.8704988849345752, 1.4681119663173328, 4.846652021894435 ], [ -0.0000018693512491070331, 1.3702404142450983, 8.1024021375 ], [ 1.8704988849345752, 1.4681119663173328, 0.5549494031055645 ] ]
[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "Ho", "Ho", "Mn", "Mn", "Mn", "Mn", "Mn", "Mn", "Mn", "Mn", "Mn", "Mn", "P", "P", "P", "P", "P", "P" ]
2023-11-16 06:57:59
[ 0.1111111111111111, 0.5555555555555556, 0.3333333333333333 ]
[ [ 3.0482962, 0, 0 ], [ 0, 3.163718, 0 ], [ 0, 0, 3.1826317 ] ]
-144.967955
[ -0.064, -0.064, 1.371, 1.371, 2.284, 2.284, -0.09, -0.09, -0.09, 1.371, 1.371, -0.09, -0.043, -0.015, -0.043, -0.043, -0.015, -0.043 ]
[ [ 0, -0.0028054, 0 ], [ 0, 0.0028054, 0 ], [ 0, -0.00253835, 0.00056279 ], [ 0, 0.00253835, 0.00056279 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, -0.00998288, 0.00101854 ], [ 0, 0.00998288, -0.00101854 ], [ 0, 0.00998288, 0.00101854 ], [ 0, -0.00253835, -0.00056279 ], [ 0, 0.00253835, -0.00056279 ], [ 0, -0.00998288, -0.00101854 ], [ 0, -0.00344007, -0.00109895 ], [ 0, 0.00200486, 0 ], [ 0, -0.00344007, 0.00109895 ], [ 0, 0.00344007, -0.00109895 ], [ 0, -0.00200486, 0 ], [ 0, 0.00344007, 0.00109895 ] ]
9.641306
10.764388
pbe
true
6c7736ae986c589eb096ed72750e2781_63_Ho2Mn10P6
[ "Ho", "Ni", "Zn" ]
18
ABC
HoNiZn
Ho6 Zn6 Ni6
3
[ 1, 1, 1 ]
3
[ [ 3.76988436, 0, 0 ], [ 0, 6.99211795, 0 ], [ 0, 0, 12.25297756 ] ]
agm005595455
[ [ 0, 1.75113678471698, 11.707159239797077 ], [ 0, 5.24098116528302, 0.5458183202029212 ], [ 0, 1.75113678471698, 6.6723071002029215 ], [ 0, 5.24098116528302, 5.580670459797079 ], [ 0, 0.9701091687663376, 3.06324439 ], [ 0, 6.022008781233662, 9.18973317 ], [ 1.88494218, 2.959671721726316, 1.6012773091842099 ], [ 1.88494218, 4.032446228273684, 10.65170025081579 ], [ 1.88494218, 2.959671721726316, 4.52521147081579 ], [ 1.88494218, 4.032446228273684, 7.72776608918421 ], [ 1.88494218, 5.538240641671525, 3.06324439 ], [ 1.88494218, 1.4538773083284755, 9.18973317 ], [ 1.88494218, 0.3654694049414215, 1.1284793834523528 ], [ 1.88494218, 6.626648545058579, 11.124498176547647 ], [ 1.88494218, 0.3654694049414215, 4.998009396547648 ], [ 1.88494218, 6.626648545058579, 7.254968163452353 ], [ 0, 3.8677662581281544, 3.06324439 ], [ 0, 3.124351691871845, 9.18973317 ] ]
[{"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": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Ho", "Ho", "Ho", "Ho", "Ho", "Ho", "Zn", "Zn", "Zn", "Zn", "Zn", "Zn", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ -1.8682028, 0, 0 ], [ 0, -2.5984404, 0 ], [ 0, 0, -2.5276935 ] ]
-77.943655
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, -0.00102662, -0.00064683 ], [ 0, 0.00102662, 0.00064683 ], [ 0, -0.00102662, 0.00064683 ], [ 0, 0.00102662, -0.00064683 ], [ 0, -0.0030863, 0 ], [ 0, 0.0030863, 0 ], [ 0, -0.00147264, 0.00086252 ], [ 0, 0.00147264, -0.00086252 ], [ 0, -0.00147264, -0.00086252 ], [ 0, 0.00147264, 0.00086252 ], [ 0, 0.00077462, 0 ], [ 0, -0.00077462, 0 ], [ 0, 0.00278815, 0.00048087 ], [ 0, -0.00278815, -0.00048087 ], [ 0, 0.00278815, -0.00048087 ], [ 0, -0.00278815, 0.00048087 ], [ 0, 0.007065, 0 ], [ 0, -0.007065, 0 ] ]
0
11.89789
pbe
true
fedbb47f1aea9485527473f5f4241a38_51_Ho6Zn6Ni6
[ "Ho", "Pa", "S" ]
12
A6B5C
Ho5PaS6
Ho5 Pa1 S6
3
[ 1, 1, 1 ]
3
[ [ 6.65072249, 0.16730293, 1.01316021 ], [ 1.63996992, 5.63521212, 3.28620038 ], [ 0.1144397, 0.05617855, 6.73052733 ] ]
agm006125211
[ [ 5.16288171803912, 0.613012716873772, 3.2833623676094765 ], [ 2.6560609479657824, 3.343125853082588, 4.4175970024830065 ], [ 2.0976212516460055, 1.4472201958664699, 1.0764499061145354 ], [ 6.307510858353995, 4.411473404133531, 9.953438013885464 ], [ 5.749071162034217, 2.5155677469174123, 6.612290917516994 ], [ 3.24225039196088, 5.245680883126229, 7.746525552390524 ], [ 0, 0, 0 ], [ 3.6797766290823746, 1.0790687758927298, 5.506731118474623 ], [ 0.5860424639904112, 1.9019805418880316, 3.3299734083085233 ], [ 4.145346205, 2.901257525, 2.149680295 ], [ 7.819089646009589, 3.9567130581119696, 7.699914511691477 ], [ 4.725355480917624, 4.7796248241072705, 5.523156801525377 ] ]
[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}]
[ "S", "S", "S", "S", "S", "S", "Pa", "Ho", "Ho", "Ho", "Ho", "Ho" ]
2023-11-16 06:57:59
[ 0.4166666666666667, 0.08333333333333333, 0.5 ]
[ [ 0.07582663, 0.08867305, 0.03240244 ], [ 0.0886731, 0.10156668, -0.03529177 ], [ 0.03240246, -0.03529177, 0.17457885 ] ]
-79.875652
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ -0.00019685, -0.00178217, -0.00255745 ], [ 0.00052677, 0.00307345, 0.00017851 ], [ 0.00277523, -0.00035897, 0.00019003 ], [ -0.00277523, 0.00035897, -0.00019003 ], [ -0.00052677, -0.00307345, -0.00017851 ], [ 0.00019685, 0.00178217, 0.00255745 ], [ 0, 0, 0 ], [ -0.00020236, -0.000792, 0.00145912 ], [ 0.00010357, 0.00040534, -0.00074677 ], [ 0, 0, 0 ], [ -0.00010357, -0.00040534, 0.00074677 ], [ 0.00020236, 0.000792, -0.00145912 ] ]
0.000596
8.03994
pbe
true
a50da0ec6d3b50bf70a132f3b4f01332_12_Ho5Pa1S6
[ "Ho", "Pd", "Rh" ]
7
A4B2C
Ho4Pd2Rh
Ho4 Pd2 Rh1
3
[ 1, 1, 1 ]
3
[ [ 4.63806486, -1e-8, 1.44903807 ], [ 2.09267639, 4.13912432, 1.44903807 ], [ -0.10719744, -0.06592221, 8.49036746 ] ]
agm005985444
[ [ 5.859794876404974, 3.6035286239229594, 5.685782807296676 ], [ 0.7637489335950247, 0.4696734760770401, 5.702660792703323 ], [ 4.200593232602936, 2.583189087094218, 2.8492928802206103 ], [ 2.4229505773970645, 1.4900130129057814, 8.53915071977939 ], [ 4.970519272394666, 3.0566612257892176, 8.532173835429708 ], [ 1.6530245376053339, 1.0165408742107822, 2.856269764570292 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}]
[ "Ho", "Ho", "Ho", "Ho", "Pd", "Pd", "Rh" ]
2023-11-16 06:57:59
[ 0.5714285714285714, 0.2857142857142857, 0.14285714285714285 ]
[ [ 3.779626, -0.01402, 0.07297456 ], [ -0.01402, 3.7938023, 0.04487619 ], [ 0.07297456, 0.04487619, 3.5688481 ] ]
-41.341235
[ 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0.00108651, 0.00066816, -0.00347768 ], [ -0.00108651, -0.00066816, 0.00347768 ], [ -0.00065361, -0.00040194, 0.00209206 ], [ 0.00065361, 0.00040194, -0.00209206 ], [ -0.00154946, -0.00095285, 0.0049595 ], [ 0.00154946, 0.00095285, -0.0049595 ], [ 0, 0, 0 ] ]
0
4.971611
pbe
true
f4c3a860a3df1b5e9c3134e721601efd_166_Ho4Pd2Rh1
[ "Ho", "Pd", "Sb" ]
3
ABC
HoPdSb
Ho1 Sb1 Pd1
3
[ 1, 1, 1 ]
3
[ [ 3.7426639, 0, 0 ], [ 0, 4.56624832, 0 ], [ 0, -2.28312416, 3.95448704 ] ]
agm002307319
[ [ 1.87133195, -2.283124176226488e-8, 2.636324706514957 ], [ 0, 0, 0 ], [ 1.87133195, 2.2831241828312416, 1.3181623334850432 ] ]
[{"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}]
[ "Sb", "Ho", "Pd" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 2.5369377, 0, 0 ], [ 0, 1.1261605, 0 ], [ 0, 0, 1.1261605 ] ]
-16.78215
[ 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
1.315119
pbe
true
693b0cb2c3ead05308c9211c05c9bab6_187_Ho1Sb1Pd1
[ "Ho", "Pm", "Sc" ]
18
A5B2C2
Ho2Pm5Sc2
Pm10 Ho4 Sc4
3
[ 1, 1, 1 ]
3
[ [ 8.61684881, 0.00033687, 0.93393604 ], [ 0.00223528, 7.06485514, -0.04450919 ], [ -3.17803499, -3.47572408, 9.05543567 ] ]
agm003314621
[ [ -1.5477401617466293, 2.066214859466402, 7.233746274751834 ], [ 6.487565737685377, 5.56660328993486, 2.5953804455339005 ], [ -1.5476638938309497, -1.4454157222453796, 7.257441977498728 ], [ 6.485630502666673, 2.0476565515571243, 2.618986624746414 ], [ 2.8231081203906307, 5.585029370224938, 3.21255573687712 ], [ 2.155179022154153, 2.0821207382510254, 6.683267818865973 ], [ 2.8198284610151294, 2.044640538627165, 3.235272847425948 ], [ 2.153729646690307, -1.4786273935182592, 6.704934284111992 ], [ -0.09107855961883483, 3.8231859750640043, 4.2990833107356865 ], [ 5.057359023118224, 0.2944989061524085, 5.587508430105174 ], [ 0.8577702410250427, 0.26880175875046425, 1.085353966024035 ], [ 4.059872210447751, 3.7948904451057897, 0.4202260360625638 ], [ -0.09426429596242399, 0.2896944825537088, 4.358996776602562 ], [ 5.041656583029927, 3.8280057046181954, 5.572649714254686 ], [ 0.8156947585342152, 3.8022298265346337, 1.072431271136301 ], [ 4.1452894320020865, 0.31505457778187235, 8.817312171579246 ], [ 0.9384431016090284, -3.2131400253570788, 9.497063665587586 ], [ 4.101027645078737, 3.8487505895490983, 8.776937735915768 ] ]
[{"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}]
[ "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Ho", "Ho", "Ho", "Ho", "Sc", "Sc", "Sc", "Sc" ]
2023-11-16 06:57:59
[ 0.2222222222222222, 0.5555555555555556, 0.2222222222222222 ]
[ [ 1.0414914, -0.00051801, 0.01363649 ], [ -0.00051795, 1.067027, -0.00453458 ], [ 0.01363645, -0.00453458, 1.0417719 ] ]
-90.378071
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0.00063871, -0.00098307, -0.00095204 ], [ 0.00019852, -0.00066131, 0.00091295 ], [ -0.00156082, -0.00095593, -0.00308193 ], [ 0.00018347, 0.00016106, 0.00137774 ], [ -0.00413849, 0.00026426, -0.00194765 ], [ 0.00307313, 0.00180291, 0.0041972 ], [ -0.0025133, -0.00055877, -0.0018102 ], [ 0.00099088, 0.00025992, 0.00325722 ], [ -0.00271092, -0.00147684, -0.00199401 ], [ 0.00303239, 0.00028458, -0.00055903 ], [ 0.00013969, 0.00116046, 0.00135981 ], [ -0.00063644, 0.00076495, 0.00063771 ], [ -0.00261201, -0.00034128, 0.00087339 ], [ 0.00286726, -0.00015849, -0.00209158 ], [ -0.0036309, -0.00056538, -0.00363077 ], [ 0.00069182, 0.0003521, 0.00007072 ], [ 0.0042152, 0.00162104, 0.00067188 ], [ 0.00177181, -0.00097022, 0.00270858 ] ]
0.000053
28.059578
pbe
true
17cf9f944ba7af888388467c1ffb0170_8_Pm10Ho4Sc4
[ "Ho", "Pm", "Y" ]
19
A12B5C2
Ho12Pm2Y5
Pm2 Y5 Ho12
3
[ 1, 1, 1 ]
3
[ [ 6.17509336, 1.11709827, -0.23855715 ], [ -1.76487685, 6.90959574, -5.58821467 ], [ -0.55282297, -0.20915459, 13.75808134 ] ]
agm005657153
[ [ 1.4374269889683953, 6.20925362857001, 6.801044094851905 ], [ 2.4199665510316044, 1.6082857914299904, 1.1302654251480952 ], [ 0.5252226167397165, 3.602100885521123, 4.817333045502606 ], [ -0.489340458613241, 4.719638999867041, -1.6154591812319354 ], [ -0.276411485, -0.104577295, 6.87904067 ], [ 4.346733998613241, 3.097900420132958, 9.546768701231937 ], [ 3.3321709232602825, 4.215438534478878, 3.1139764744973952 ], [ 5.730863870639227, 1.7959965696717453, 2.8967033049282027 ], [ -1.4366352231222728, 5.295637902694001, 8.673654940640175 ], [ 2.3801894416169413, 5.695010620726743, -3.4369302035536147 ], [ -0.05925508194791027, 3.9001754761822833, 1.6398748127423457 ], [ 2.767322656201027, 4.901139287964903, -0.11341539481998808 ], [ 1.1138205310876792, 6.895543843579907, 3.0518588694801134 ], [ 2.743573008912321, 0.9219955764200928, 4.879450650519887 ], [ 3.9166486219479104, 3.9173639438177177, 6.291434707257656 ], [ 1.0900708837989734, 2.9164001320350974, 8.044724914819989 ], [ 5.294028763122273, 2.521901517305999, -0.7423454206401755 ], [ 1.4772040983830588, 2.122528799273257, 11.368239723553614 ], [ -1.8734703306392273, 6.021542850328256, 5.034606215071798 ] ]
[{"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
[ "Pm", "Pm", "Y", "Y", "Y", "Y", "Y", "Ho", "Ho", "Ho", "Ho", "Ho", "Ho", "Ho", "Ho", "Ho", "Ho", "Ho", "Ho" ]
2023-11-16 06:57:59
[ 0.631578947368421, 0.10526315789473684, 0.2631578947368421 ]
[ [ 1.0444741, -0.00296337, 0.00855079 ], [ -0.00296333, 1.0106981, -0.04210266 ], [ 0.0085507, -0.04210287, 1.1487626 ] ]
-95.484508
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ -0.00034573, -0.00273737, -0.00571023 ], [ 0.00034573, 0.00273737, 0.00571023 ], [ -0.00205942, -0.00450802, -0.00050237 ], [ -0.00053035, 0.00364053, 0.00324237 ], [ 0, 0, 0 ], [ 0.00053035, -0.00364053, -0.00324237 ], [ 0.00205942, 0.00450802, 0.00050237 ], [ -0.00282187, 0.00222351, 0.0035608 ], [ 0.0005976, -0.00096534, 0.00008745 ], [ 0.00285697, -0.0012616, -0.00024831 ], [ 0.00143098, -0.00084471, 0.00322345 ], [ 0.00114913, -0.00001047, 0.00253999 ], [ -0.00087046, -0.00118899, -0.00162154 ], [ 0.00087046, 0.00118899, 0.00162154 ], [ -0.00143098, 0.00084471, -0.00322345 ], [ -0.00114913, 0.00001047, -0.00253999 ], [ -0.0005976, 0.00096534, -0.00008745 ], [ -0.00285697, 0.0012616, 0.00024831 ], [ 0.00282187, -0.00222351, -0.0035608 ] ]
0.000001
31.166206
pbe
true
e764b16a59f461121152e8d98875b74d_2_Pm2Y5Ho12