LeMaterial/LeMat-BulkUnique · Datasets at Hugging Face

[ "Ge", "Ni", "Sc" ]

18

ABC

GeNiSc

Sc6 Ni6 Ge6

3

[ 1, 1, 1 ]

3

[ [ 5.72344669, 0, 0 ], [ -2.86172334, 4.95665023, 0 ], [ 0, 0, 10.61953821 ] ]

agm001000581

[ [ 2.861723345, 0, 7.07969567984607 ], [ 0, 0, 5.309769105 ], [ 0, 0, 8.84961163515393 ], [ 0, 0, 1.7699265748460702 ], [ 1.430861675, 2.478325115, 0 ], [ -1.43086167, 2.478325115, 3.53984253015393 ], [ 0.0000028369269946300754, 3.787756467116134, 1.7699265748460702 ], [ 3.28029477144577, 1.8938757304497011, 8.84961163515393 ], [ 2.443149117886235, 1.893880687099931, 5.309769105 ], [ 2.861720513073005, 1.1688937628838658, 1.7699265748460702 ], [ 0.41857423211376477, 3.0627695429000688, 5.309769105 ], [ -0.4185685597224301, 3.0627695429000688, 8.84961163515393 ], [ 1.430861675, 2.478325115, 3.151549097871197 ], [ -1.43086167, 2.478325115, 6.691402247563337 ], [ 1.430861675, 2.478325115, 7.4679891121288025 ], [ -1.43086167, 2.478325115, 0.3882934322827326 ], [ 2.861723345, 0, 10.231244777717267 ], [ 2.861723345, 0, 3.9281359624366625 ] ]

[{"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", "Sc", "Sc", "Sc", "Sc", "Sc", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ -3.036747, 0, 0 ], [ 0, -3.036747, 0 ], [ 0, 0, -2.566072 ] ]

-108.951879

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, -0.00067371, 0 ], [ -0.00058345, -0.00033686, 0 ], [ 0.00058345, -0.00033686, 0 ], [ 0, 0.00067371, 0 ], [ -0.00058345, 0.00033686, 0 ], [ 0.00058345, 0.00033686, 0 ], [ 0, 0, 0.00561802 ], [ 0, 0, 0.00561802 ], [ 0, 0, -0.00561802 ], [ 0, 0, -0.00561802 ], [ 0, 0, 0.00561802 ], [ 0, 0, -0.00561802 ] ]

0.000416

15.389936

pbe

true

e059dca854cb133381a54b6dfa67b25a_180_Sc6Ni6Ge6

[ "Hg", "Mg", "Sb" ]

4

A2BC

HgMg2Sb

Mg2 Hg1 Sb1

3

[ 1, 1, 1 ]

3

[ [ 5.62224095, -0.36160726, -0.36277169 ], [ 4.29821904, 3.64220624, -0.36277169 ], [ 0.29845343, 0.09869563, 4.39837619 ] ]

agm004073069

[ [ 7.558636069737085, 2.499566938659653, 3.3123753442724477 ], [ 0.2875996664195419, 0.0951063962794082, 3.8513065816537937 ], [ 2.4946014407565427, 0.8249402710871303, 1.4670958679213586 ], [ 5.285986482291431, 1.748023971779799, 1.276847603896965 ] ]

[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}]

[ "Hg", "Mg", "Mg", "Sb" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 1.6885147, -0.03155567, 0.00335131 ], [ -0.03155567, 1.7735032, 0.00110825 ], [ 0.00335153, 0.00110832, 1.9310153 ] ]

-8.481773

[ 0, 0, 0, 0 ]

[ [ 0.00309072, 0.00102207, -0.00446876 ], [ -0.00440725, -0.00145743, 0.00414803 ], [ 0.00574344, 0.0018993, 0.00768771 ], [ -0.00442691, -0.00146394, -0.00736698 ] ]

0

0.578822

pbe

true

395b3556b67cbc2a318e813e81ffd301_8_Mg2Hg1Sb1

[ "Mg", "Pb", "Ta" ]

4

A2BC

MgPbTa2

Mg1 Ta2 Pb1

3

[ 1, 1, 1 ]

3

[ [ 3.67511415, 0, 0 ], [ 0, 3.67511415, 0 ], [ 0, 0, 5.90497334 ] ]

agm004259922

[ [ 1.837557075, 1.837557075, 1.476243335 ], [ 1.837557075, 1.837557075, 4.428730005 ], [ 0, 0, 0.0248887540312992 ], [ 0, 0, 2.927597915968701 ] ]

[{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}]

[ "Mg", "Pb", "Ta", "Ta" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 4.255059, 0, 0 ], [ 0, 4.255059, 0 ], [ 0, 0, 4.2079844 ] ]

-26.577375

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00258122 ], [ 0, 0, -0.00258122 ] ]

-0.000001

3.692911

pbe

true

ddff1e8e2bd8799d1eb90caae901bc21_123_Mg1Ta2Pb1

[ "Na", "O", "P", "Sb" ]

12

A8B2CD

NaO8P2Sb

Na1 O8 P2 Sb1

4

[ 1, 1, 1 ]

3

[ [ 2.350083354, 1.356821257, 7.598383225 ], [ -2.350083354, 1.356821257, 7.598383225 ], [ 0, -2.713642515, 7.598383225 ] ]

oqmd-7844158

[ [ -1.9821508350166313e-18, -1.2035733144332864e-16, 11.39757 ], [ 0.7701600000000002, 1.47344, 8.79216 ], [ -2.3780189631846077e-17, -8.202063297012194e-17, 4.33006 ], [ -0.8909599999999999, 1.4037000000000002, 14.00299 ], [ -1.6611199999999997, -0.06974000000000016, 8.792159999999999 ], [ 1.6611199999999997, 0.06973999999999995, 14.00299 ], [ 0.8909599999999999, -1.4037, 8.79216 ], [ -6.313782122313767e-17, -2.3218964148417395e-16, 18.465089999999996 ], [ -0.7701600000000001, -1.4734399999999996, 14.00299 ], [ 1.2555481372501177e-17, -2.4796040214139502e-17, 5.81417 ], [ -5.3679105999947097e-17, 1.5858650074147868e-16, 16.98098 ], [ 0, 0, 0 ] ]

[{"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}]

[ "Na", "O", "O", "O", "O", "O", "O", "O", "O", "P", "P", "Sb" ]

2024-11-01 00:00:00

[ 0.08333333333333333, 0.6666666666666666, 0.16666666666666666, 0.08333333333333333 ]

[ [ 45.08999489, -5e-8, 0 ], [ -5e-8, 45.08999489, 0 ], [ 0, 0, 31.49951569 ] ]

-78.8393

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ -0.006952, 0.051459, 0.035327 ], [ 0, 0, 0.026118 ], [ -0.048041, 0.019708, -0.035327 ], [ -0.041088, -0.03175, 0.035327 ], [ 0.041088, 0.03175, -0.035327 ], [ 0.048041, -0.019708, 0.035327 ], [ 0, 0, -0.026118 ], [ 0.006952, -0.051459, -0.035327 ], [ 0, 0, -0.062521 ], [ 0, 0, 0.062521 ], [ 0, 0, 0 ] ]

null

pbe

false

9daf73224cb2530ee3b20edcb155fbc2_148_Na1Sb1P2O8

[ "Cu", "K", "Se" ]

10

A4B3C3

Cu3K3Se4

K3 Cu3 Se4

3

[ 1, 1, 1 ]

3

[ [ 9.01780833, 2.8e-7, 0 ], [ -3.4e-7, 4.86617032, 0 ], [ 0, 0, 21.27125501 ] ]

agm2000078204

[ [ 6.754322388534045, 1.2754407741578437, 10.336940158262932 ], [ 2.263485853413627, 1.2754404887337278, 10.336940370975483 ], [ 4.520270557999999e-7, 1.274384800125729, 13.558098631714556 ], [ 3.3150249025173983, 3.6529970332749055, 7.286843628613877 ], [ 5.702782917011769, 3.65299739938423, 7.286844266751527 ], [ 4.508903814885579, 3.720278055054762, 11.737822470711514 ], [ 2.3976204419177374, 3.7121594169233254, 12.594593524943544 ], [ 6.620187639878312, 3.712159791341172, 12.594593312230996 ], [ 4.508903275259923, 3.699627682714574, 9.245589916493168 ], [ 9.017807710256253, 3.7073266881012605, 11.378008982014956 ] ]

[{"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"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}]

[ "K", "K", "K", "Cu", "Cu", "Cu", "Se", "Se", "Se", "Se" ]

2023-11-16 06:57:59

[ 0.3, 0.3, 0.4 ]

[ [ -0.45966673, 2e-8, 1e-8 ], [ 2e-8, -0.41709268, -0.09158642 ], [ 1e-8, -0.09158624, -0.9819658 ] ]

-30.978532

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0.00222741, 0.00097556, 0.00617304 ], [ -0.00222741, 0.00097556, 0.00617304 ], [ 0, 0.00108144, 0.00521884 ], [ 0.03424607, 0.01465672, -0.02061516 ], [ -0.03424607, 0.01465672, -0.02061516 ], [ 0, -0.03866511, -0.00228731 ], [ -0.00063833, 0.00188994, 0.00751959 ], [ 0.00063833, 0.00188994, 0.00751959 ], [ 0, 0.0009067, 0.00843305 ], [ 0, 0.00163251, 0.00248047 ] ]

-0.000001

4.679102

pbe

true

a2a50ce20754eddefa2d7cfd9e3d91bd_6_K3Cu3Se4

[ "Ac", "Ga", "U" ]

3

ABC

AcGaU

Ac1 Ga1 U1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.637425375, 3.637425375 ], [ 3.637425375, 0, 3.637425375 ], [ 3.637425375, 3.637425375, 0 ] ]

oqmd-5648374

[ [ 1.8187100000000032, 1.8187100000000032, 1.8187100000000032 ], [ 0, 0, 0 ], [ 5.45614, 5.45614, 5.45614 ] ]

[{"mass": null, "name": "Ac", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ac"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}]

[ "Ac", "Ga", "U" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 1.24414383, 0, 0 ], [ 0, 1.24414383, 0 ], [ 0, 0, 1.24414383 ] ]

-17.0348

[ 0.184, -0.045, 2.828 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

3.71704

null

pbe

true

ff6a33c335741564a6b83496e128d23f_216_Ac1U1Ga1

[ "Ag", "Eu", "In" ]

9

ABC

AgEuIn

Ag1 Eu1 In1

3

[ 1, 1, 1 ]

3

[ [ 7.912652871, 0, 0 ], [ -3.956326436, 6.852558398, 0 ], [ 0, 0, 4.241520831 ] ]

oqmd-5538925

[ [ 3.9563300000000017, 2.284189999999999, 0 ], [ -6.754584886361354e-16, 4.568369999999998, 0 ], [ 0, 0, 2.12076 ], [ 3.2478, 0, 2.12076 ], [ -1.623895781755308, 2.8126699999999976, 2.12076 ], [ 2.3324299999999982, 4.03988, 2.12076 ], [ 5.925389999999997, 0, 0 ], [ 0.9936300000000032, 1.721019999999997, 0 ], [ -2.9626960005648155, 5.13154, 0 ] ]

[{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Eu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Eu"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}]

[ "Ag", "Ag", "Ag", "Eu", "Eu", "Eu", "In", "In", "In" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 5.3779731, 0, 0 ], [ 0, 5.3779731, 0 ], [ 0, 0, 4.23722143 ] ]

-26.8472

[ 0, 0, 0, -0.002, -0.002, -0.002, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.005949, 0, 0 ], [ 0.002974, -0.005152, 0 ], [ 0.002974, 0.005152, 0 ], [ 0.007081, 0, 0 ], [ -0.00354, -0.006132, 0 ], [ -0.00354, 0.006132, 0 ] ]

-0.028026

null

pbe

false

e2a2ee19563d1759ed78fc069e4b4d80_189_Eu3In3Ag3

[ "Au", "Ba", "Tb" ]

3

ABC

AuBaTb

Au1 Ba1 Tb1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.657541, 3.657541 ], [ 3.657541, 0, 3.657541 ], [ 3.657541, 3.657541, 0 ] ]

oqmd-3347344

[ [ 1.828769999999998, 1.828769999999998, 1.828769999999998 ], [ 0, 0, 0 ], [ 5.486310000000001, 5.486310000000001, 5.486310000000001 ] ]

[{"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}]

[ "Au", "Ba", "Tb" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 5.96316, 0, 0 ], [ 0, 5.96316, 0 ], [ 0, 0, 5.96316 ] ]

-8.58276

[ 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.000511

null

pbe

true

6e7bdd094b606dc20b77ce3e4acf3b2a_216_Ba1Tb1Au1

[ "Al", "Nb", "Pd" ]

4

A2BC

AlNbPd2

Al1 Nb1 Pd2

3

[ 1, 1, 1 ]

3

[ [ -1.988393765, 1.988393765, 3.952006305 ], [ 1.988393765, -1.988393765, 3.952006305 ], [ 1.988393765, 1.988393765, -3.952006305 ] ]

oqmd-6057739

[ [ -2.2073797560054247e-17, 2.2073797560054247e-17, 3.95201 ], [ 0, 0, 0 ], [ -5.285113805040692e-17, 1.98839, 1.976 ], [ 1.98839, -5.285113805040692e-17, 1.976 ] ]

[{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}]

[ "Al", "Nb", "Pd", "Pd" ]

2024-11-01 00:00:00

[ 0.25, 0.25, 0.5 ]

[ [ 34.97919528, 0, 0 ], [ 0, 34.97919528, 0 ], [ 0, 0, 9.21546801 ] ]

-26.0321

[ 0, 0.001, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.000027

null

pbe

true

1c2663f790b41f8cd7d3776c35da1013_139_Nb1Al1Pd2

[ "Co", "Ho", "Y" ]

12

A9B2C

Co9HoY2

Co9 Ho1 Y2

3

[ 1, 1, 1 ]

3

[ [ 2.476911888, 1.430045745, 8.075360294 ], [ -2.476911888, 1.430045745, 8.075360294 ], [ 0, -2.86009149, 8.075360294 ] ]

oqmd-6167637

[ [ -7.413093203095407e-17, 1.4405500000000002, 10.037380000000002 ], [ -4.2723204986501447e-17, 2.095886805198376e-17, 8.11135 ], [ 1.2475500000000002, 0.72028, 14.1887 ], [ -1.24755, 0.72028, 14.1887 ], [ -9.535884325617943e-17, 9.015998669870636e-17, 12.11304 ], [ 1.24755, -0.7202800000000003, 10.03738 ], [ -1.24755, -0.7202800000000003, 10.03738 ], [ -6.344610700209445e-17, -1.1042816835371019e-16, 16.11473 ], [ 5.250999456612112e-17, -1.4405500000000002, 14.1887 ], [ 0, 0, 0 ], [ 1.461386874224683e-17, -1.3598690521413125e-17, 3.3844299999999996 ], [ -1.7629433196210056e-16, -7.587060978031331e-17, 20.84165 ] ]

[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]

[ "Co", "Co", "Co", "Co", "Co", "Co", "Co", "Co", "Co", "Ho", "Y", "Y" ]

2024-11-01 00:00:00

[ 0.75, 0.08333333333333333, 0.16666666666666666 ]

[ [ 92.73509822, 0, 0 ], [ 0, 92.73509822, 0 ], [ 0, 0, 109.72800667 ] ]

-83.5432

[ 1.242, 1.314, 1.199, 1.343, 1.119, 1.343, 1.199, 1.314, 1.242, -0.346, -0.28, -0.28 ]

[ [ 0, -0.082742, -0.045222 ], [ 0, 0, -0.005079 ], [ -0.071657, -0.041371, 0.045222 ], [ 0.071657, -0.041371, 0.045222 ], [ 0, 0, 0 ], [ -0.071657, 0.041371, -0.045222 ], [ 0.071657, 0.041371, -0.045222 ], [ 0, 0, 0.005079 ], [ 0, 0.082742, 0.045222 ], [ 0, 0, 0 ], [ 0, 0, -0.016783 ], [ 0, 0, 0.016783 ] ]

9.14319

null

pbe

true

e42c9ff4145792937d5594bf29a7607e_166_Y2Ho1Co9

[ "Ca", "Mn", "Pa" ]

3

ABC

CaMnPa

Ca1 Mn1 Pa1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.208208382, 3.208208382 ], [ 3.208208382, 0, 3.208208382 ], [ 3.208208382, 3.208208382, 0 ] ]

oqmd-6994415

[ [ 0, 0, 0 ], [ 4.81231, 4.81231, 4.81231 ], [ 1.6041, 1.6041, 1.6041 ] ]

[{"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}]

[ "Ca", "Mn", "Pa" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 11.32021164, 0, 0 ], [ 0, 11.32021164, 0 ], [ 0, 0, 11.32021164 ] ]

-15.2845

[ -0.002, 0.018, -0.008 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.006528

null

pbe

false

d8bd0b9295a6fccc87d314041f828149_216_Ca1Pa1Mn1

[ "Ce", "Ge", "Rh" ]

8

A2BC

CeGe2Rh

Ce1 Ge2 Rh1

3

[ 1, 1, 1 ]

3

[ [ 3.500531792, 0, 0 ], [ 0, 7.5644383, 0 ], [ 0, 0, 6.243826347 ] ]

oqmd-6863609

[ [ 1.7502699999999998, 0.4728699999999999, 0 ], [ 1.7502699999999998, 7.091569999999999, 3.12187 ], [ 1.7502699999999998, 4.77935, 1.10086 ], [ 0, 1.94405, 2.08796 ], [ 1.7502699999999998, 2.7850899999999994, 4.22277 ], [ 0, 5.62039, 5.209869999999999 ], [ 0, 4.28278, 3.05505 ], [ 0, 3.2816599999999996, 6.17696 ] ]

[{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}]

[ "Ce", "Ce", "Ge", "Ge", "Ge", "Ge", "Rh", "Rh" ]

2024-11-01 00:00:00

[ 0.25, 0.5, 0.25 ]

[ [ -1.95994871, 0, 0 ], [ 0, 14.724605, 0 ], [ 0, 0, -3.04481364 ] ]

-45.821

[ 0.001, 0.001, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0.140556, 0.037668 ], [ 0, -0.140556, 0.037668 ], [ 0, -0.179593, -0.007573 ], [ 0, 0.212228, -0.131789 ], [ 0, 0.179593, -0.007573 ], [ 0, -0.212228, -0.131789 ], [ 0, -0.149462, 0.101694 ], [ 0, 0.149462, 0.101694 ] ]

0.006556

null

pbe

false

c9671507b0fa8fe91ae87698bc72e3f9_26_Ce2Ge4Rh2

[ "Cr", "Ni", "Pt" ]

4

A2BC

CrNiPt2

Cr1 Ni1 Pt2

3

[ 1, 1, 1 ]

3

[ [ 3.85746427, 0, 0 ], [ 0, 3.85746427, 0 ], [ 0, 0, 3.719580908 ] ]

oqmd-5317648

[ [ 0, 0, 0 ], [ 1.92873, 1.92873, 0 ], [ 1.92873, 0, 1.8597899999999985 ], [ 0, 1.92873, 1.8597899999999985 ] ]

[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]

[ "Cr", "Ni", "Pt", "Pt" ]

2024-11-01 00:00:00

[ 0.25, 0.25, 0.5 ]

[ [ -22.54242551, 0, 0 ], [ 0, -22.54242551, 0 ], [ 0, 0, -19.36395987 ] ]

-28.0741

[ 2.644, -0.001, -0.032, -0.026 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

2.6733

null

pbe

false

7f15a1094c3234100f94b33e2988413b_123_Cr1Ni1Pt2

[ "La", "Tl", "U" ]

3

ABC

LaTlU

La1 Tl1 U1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.773491, 3.773491 ], [ 3.773491, 0, 3.773491 ], [ 3.773491, 3.773491, 0 ] ]

oqmd-2910555

[ [ 1.8867499999999997, 1.8867499999999997, 1.8867499999999997 ], [ 0, 0, 0 ], [ 5.660240000000002, 5.660240000000002, 5.660240000000002 ] ]

[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}]

[ "La", "Tl", "U" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ -2.38922, 0, 0 ], [ 0, -2.38922, 0 ], [ 0, 0, -2.38922 ] ]

-16.656

[ 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

4.06373

null

pbe

true

35cb4a6f667feab60290bdd34bdc765d_216_La1U1Tl1

[ "Li", "P", "Sb" ]

12

A3B2C

Li3PSb2

Li3 P1 Sb2

3

[ 1, 1, 1 ]

3

[ [ 4.880364, -0.033363, -0.012408 ], [ 1.634703, 6.49216, -0.004892 ], [ 1.6073, 2.900191, 7.720298 ] ]

oqmd-2524796

[ [ 0.8738100000000008, 0.9321100000000012, 1.9022900000000036 ], [ 4.362570000000001, 5.226299999999999, 2.878939999999996 ], [ 3.4720199999999983, 1.5798099999999993, 3.5292199999999982 ], [ 3.5267699999999995, 3.81825, 5.354389999999999 ], [ 4.274160000000001, 6.662260000000001, 5.999139999999996 ], [ 6.126250000000001, 4.4649, 6.9782600000000015 ], [ 3.320050000000001, 0.6447400000000015, 1.2701700000000038 ], [ 3.680380000000001, 4.753519999999998, 7.612749999999998 ], [ 2.084689999999999, 3.916479999999999, 1.42758 ], [ 5.939780000000001, 2.6846099999999997, 4.4333 ], [ 6.758479999999998, 5.92971, 4.432609999999997 ], [ 6.551409999999999, 7.9745899999999965, 7.449359999999997 ] ]

[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}]

[ "Li", "Li", "Li", "Li", "Li", "Li", "P", "P", "Sb", "Sb", "Sb", "Sb" ]

2024-11-01 00:00:00

[ 0.5, 0.16666666666666666, 0.3333333333333333 ]

[ [ 9.65889, 0.7517, -0.59174 ], [ 0.7517, 11.28047, 0.37383 ], [ -0.59174, 0.37383, 8.48251 ] ]

-43.4524

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ -0.008179, 0.008898, 0.033897 ], [ 0.018481, -0.019006, 0.03339 ], [ 0.007533, -0.016828, 0.004321 ], [ 0.00428, -0.001881, -0.010903 ], [ -0.012469, 0.021399, -0.029542 ], [ 0.007845, -0.00769, -0.03702 ], [ -0.03855, 0.018997, -0.050231 ], [ 0.033671, -0.012666, 0.049914 ], [ 0.003272, -0.017915, 0.032323 ], [ -0.00215, 0.000062, 0.001435 ], [ -0.001725, 0.002058, 0.001156 ], [ -0.012009, 0.024571, -0.02874 ] ]

null

pbe

false

c238b79cf74bfc96f302b97de88eb274_2_Li6Sb4P2

[ "Co", "Pr", "Th" ]

3

ABC

CoPrTh

Co1 Pr1 Th1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.393527504, 3.393527504 ], [ 3.393527504, 0, 3.393527504 ], [ 3.393527504, 3.393527504, 0 ] ]

oqmd-6964080

[ [ 0, 0, 0 ], [ 3.393530000000001, 3.393530000000001, 3.393530000000001 ], [ 1.6967600000000005, 1.6967600000000005, 1.6967600000000005 ] ]

[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}]

[ "Co", "Pr", "Th" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ -3.83979474, 0, 0 ], [ 0, -3.83979474, 0 ], [ 0, 0, -3.83979474 ] ]

-17.0199

[ 0.003, -0.001, -0.002 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.006351

null

pbe

true

5da9aeb256a4658a9ca4503d5361bf54_216_Pr1Th1Co1

[ "Cl", "Cu", "Mo", "O" ]

14

A3B2CD

Cl2CuMoO3

Cl2 Cu1 Mo1 O3

4

[ 1, 1, 1 ]

3

[ [ 3.755110923, 0, 0 ], [ 0, 11.083221804, 0 ], [ -1.47094765, 0, 5.607773331 ] ]

oqmd-7840832

[ [ 2.11078, 1.11078, 1.16386 ], [ 2.11078, 4.43083, 1.16386 ], [ 0.17338000000000003, 6.6523900000000005, 4.44391 ], [ 0.17338000000000003, 9.972440000000002, 4.44391 ], [ 0, 0, 0 ], [ 0, 5.54161, 0 ], [ -0.09189000000000008, 8.31242, 2.40001 ], [ 2.37605, 2.77081, 3.20776 ], [ -0.003460000000000047, 6.93738, 1.3229799999999998 ], [ -0.003460000000000047, 9.68745, 1.3229799999999998 ], [ 0.4007500000000001, 2.77081, 2.79067 ], [ 1.8834100000000005, 8.31242, 2.8170999999999995 ], [ 2.2876300000000005, 1.3957700000000002, 4.28479 ], [ 2.2876300000000005, 4.145840000000001, 4.28479 ] ]

[{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]

[ "Cl", "Cl", "Cl", "Cl", "Cu", "Cu", "Mo", "Mo", "O", "O", "O", "O", "O", "O" ]

2024-11-01 00:00:00

[ 0.2857142857142857, 0.14285714285714285, 0.14285714285714285, 0.42857142857142855 ]

[ [ 24.06984539, 0, -0.13273566 ], [ 0, 30.05646306, 0 ], [ -0.13273566, 0, 29.06992209 ] ]

-80.5517

[ 0.09, 0.09, 0.09, 0.09, 0.621, 0.62, 0.039, 0.039, 0.054, 0.054, 0.014, 0.014, 0.054, 0.054 ]

[ [ 0.008283, -0.025938, 0.040063 ], [ 0.008283, 0.025938, 0.040063 ], [ -0.008283, -0.025938, -0.040063 ], [ -0.008283, 0.025938, -0.040063 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.011595, 0, 0.028939 ], [ -0.011595, 0, -0.028939 ], [ -0.018057, -0.018728, -0.071822 ], [ -0.018057, 0.018728, -0.071822 ], [ -0.01803, 0, -0.010464 ], [ 0.01803, 0, 0.010464 ], [ 0.018057, -0.018728, 0.071822 ], [ 0.018057, 0.018728, 0.071822 ] ]

2.00376

null

pbe

false

d90778173fbdda2a2f9c50b12c1f3b12_11_Cu2Mo2Cl4O6

[ "Na", "Tc", "Zn" ]

4

A2BC

Na2TcZn

Na2 Tc1 Zn1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.373524, 3.373524 ], [ 3.373524, 0, 3.373524 ], [ 3.373524, 3.373524, 0 ] ]

oqmd-2361850

[ [ 0, 0, 0 ], [ 5.060279999999999, 5.060279999999999, 5.060279999999999 ], [ 1.6867600000000018, 1.6867600000000018, 1.6867600000000018 ], [ 3.3735200000000036, 3.3735200000000036, 3.3735200000000036 ] ]

[{"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]

[ "Na", "Na", "Tc", "Zn" ]

2024-11-01 00:00:00

[ 0.5, 0.25, 0.25 ]

[ [ 7.1745, 0, 0 ], [ 0, 7.1745, 0 ], [ 0, 0, 7.1745 ] ]

-11.2337

[ -0.007, -0.02, 2.266, -0.065 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

2.36536

null

pbe

true

012ce858951ee7d8019c341a8cbb12a0_216_Na2Zn1Tc1

[ "Be", "In", "Sc", "V" ]

4

ABCD

BeInScV

Be1 In1 Sc1 V1

4

[ 1, 1, 1 ]

3

[ [ 0, 3.268015, 3.268015 ], [ 3.268015, 0, 3.268015 ], [ 3.268015, 3.268015, 0 ] ]

oqmd-2162044

[ [ 1.6340099999999975, 1.6340099999999975, 1.6340099999999975 ], [ 0, 0, 0 ], [ 3.2680099999999985, 3.2680099999999985, 3.2680099999999985 ], [ 4.902020000000003, 4.902020000000003, 4.902020000000003 ] ]

[{"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]

[ "Be", "In", "Sc", "V" ]

2024-11-01 00:00:00

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 5.18888, 0, 0 ], [ 0, 5.18888, 0 ], [ 0, 0, 5.18888 ] ]

-20.7673

[ -0.034, 0.026, 0.684, 3.126 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

4.42787

null

pbe

false

c6eb782c469caf77b597b9917c52b892_216_Sc1Be1V1In1

[ "Ca", "Cu", "Lu", "Se" ]

24

A3BCD

CaCuLuSe3

Ca1 Cu1 Lu1 Se3

4

[ 1, 1, 1 ]

3

[ [ 10.437795787, 0, 0 ], [ 0, 3.958176165, 0 ], [ 0, 0, 13.142066789 ] ]

oqmd-5276450

[ [ 8.111859999999995, 0.9895400000000018, 0.07786000000000003 ], [ 2.892959999999995, 0.9895400000000018, 6.493169999999998 ], [ 7.544840000000003, 2.9686299999999988, 6.648899999999998 ], [ 2.325940000000004, 2.9686299999999988, 13.06421 ], [ 7.970130000000005, 2.9686299999999988, 2.9344100000000037 ], [ 2.751229999999995, 2.9686299999999988, 3.6366200000000024 ], [ 7.686570000000004, 0.9895400000000018, 9.505450000000003 ], [ 2.467670000000004, 0.9895400000000018, 10.207660000000004 ], [ 5.42544, 0.9895400000000018, 3.1895600000000064 ], [ 0.20653999999999983, 0.9895400000000018, 3.38147 ], [ 10.23126, 2.9686299999999988, 9.760599999999997 ], [ 5.012359999999999, 2.9686299999999988, 9.952510000000002 ], [ 6.130359999999996, 2.9686299999999988, 1.3487700000000036 ], [ 9.95088, 2.9686299999999988, 1.4823700000000062 ], [ 2.7733599999999994, 0.9895400000000018, 2.1470600000000037 ], [ 7.992259999999998, 0.9895400000000018, 4.423970000000002 ], [ 4.73198, 2.9686299999999988, 5.08866 ], [ 0.9114599999999996, 2.9686299999999988, 5.222260000000003 ], [ 9.526340000000005, 0.9895400000000018, 7.919810000000005 ], [ 5.705819999999998, 0.9895400000000018, 8.053409999999996 ], [ 2.4455400000000003, 2.9686299999999988, 8.718100000000005 ], [ 7.664430000000001, 2.9686299999999988, 10.995010000000004 ], [ 0.4869200000000005, 0.9895400000000018, 11.659700000000004 ], [ 4.307440000000003, 0.9895400000000018, 11.793300000000004 ] ]

[{"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}]

[ "Ca", "Ca", "Ca", "Ca", "Cu", "Cu", "Cu", "Cu", "Lu", "Lu", "Lu", "Lu", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se" ]

2024-11-01 00:00:00

[ 0.16666666666666666, 0.16666666666666666, 0.16666666666666666, 0.5 ]

[ [ 7.36042853, 0, 0 ], [ 0, 7.13708245, 0 ], [ 0, 0, 7.72342313 ] ]

-118.479

[ 0, 0, 0, 0, 0, 0, 0, 0, 0.001, 0.001, 0.001, 0.001, 0, -0.001, -0.001, -0.001, -0.001, 0, 0, -0.001, -0.001, -0.001, -0.001, 0 ]

[ [ -0.015565, 0, -0.002175 ], [ -0.015565, 0, 0.002175 ], [ 0.015565, 0, -0.002175 ], [ 0.015565, 0, 0.002175 ], [ 0.011199, 0, 0.03257 ], [ 0.011199, 0, -0.03257 ], [ -0.011199, 0, 0.03257 ], [ -0.011199, 0, -0.03257 ], [ 0.003395, 0, 0.007658 ], [ 0.003395, 0, -0.007658 ], [ -0.003395, 0, 0.007658 ], [ -0.003395, 0, -0.007658 ], [ 0.008527, 0, 0.0322 ], [ -0.010212, 0, -0.009952 ], [ 0.007228, 0, -0.026523 ], [ 0.007228, 0, 0.026523 ], [ -0.010212, 0, 0.009952 ], [ 0.008527, 0, -0.0322 ], [ -0.008527, 0, 0.0322 ], [ 0.010212, 0, -0.009952 ], [ -0.007228, 0, -0.026523 ], [ -0.007228, 0, 0.026523 ], [ 0.010212, 0, 0.009952 ], [ -0.008527, 0, -0.0322 ] ]

0.010794

null

pbe

false

aa43e49d3cdf7794bbd5c4c79c942fe0_62_Ca4Lu4Cu4Se12

[ "In", "Li", "Pb" ]

11

A8B2C

InLi8Pb2

In1 Li8 Pb2

3

[ 1, 1, 1 ]

3

[ [ 4.019209487, -2.321225536, 0 ], [ 4.019209487, 2.321225536, 0 ], [ -2.680951258, 0, 10.489953797 ] ]

oqmd-6237043

[ [ 0, 0, 0 ], [ 2.680670000000001, -5.8219748378309095e-18, 0.8833599999999999 ], [ 5.35957, -3.26716053710852e-17, 1.9522 ], [ 0.0003200000000000285, 7.369417146555078e-18, 2.80457 ], [ 5.358740000000001, -9.381567246884001e-17, 4.871989999999999 ], [ -0.0012699999999999986, -1.2472576664656169e-17, 5.61796 ], [ 5.357140000000001, -1.9938584119296775e-16, 7.685389999999999 ], [ -0.0020999999999998416, -1.8105492531153138e-17, 8.53775 ], [ 2.6768000000000005, -4.4955123064407425e-17, 9.60659 ], [ 2.6791700000000005, 1.4693556613905676e-17, 3.6916699999999993 ], [ 2.67829, 2.1808877398316676e-17, 6.79829 ] ]

[{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}]

[ "In", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Pb", "Pb" ]

2024-11-01 00:00:00

[ 0.09090909090909093, 0.7272727272727273, 0.18181818181818185 ]

[ [ 18.65206941, 0, -0.30882647 ], [ 0, 18.41057956, 0 ], [ -0.30882647, 0, 19.11898701 ] ]

-28.5355

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ -0.011055, 0, -0.013629 ], [ -0.009681, 0, 0.008817 ], [ 0.010811, 0, -0.009146 ], [ -0.004206, 0, 0.003921 ], [ 0.004206, 0, -0.003921 ], [ -0.010811, 0, 0.009146 ], [ 0.009681, 0, -0.008817 ], [ 0.011055, 0, 0.013629 ], [ 0.004663, 0, 0.007653 ], [ -0.004663, 0, -0.007653 ] ]

null

pbe

false

7362190bf996d964c3d9870c1368df53_166_Li8In1Pb2

[ "Sm", "Te", "Tl", "Zn" ]

24

A3BCD

SmTe3TlZn

Sm1 Te3 Tl1 Zn1

4

[ 1, 1, 1 ]

3

[ [ 11.802224668, 0, 0 ], [ 0, 4.404007909, 0 ], [ 0, 0, 15.543061091 ] ]

oqmd-5477280

[ [ 6.066750000000003, 1.101, 3.8045300000000006 ], [ 0.16563999999999943, 1.101, 3.96701 ], [ 11.636589999999996, 3.3030100000000013, 11.576059999999996 ], [ 5.735480000000004, 3.3030100000000013, 11.738539999999997 ], [ 6.863729999999996, 3.3030100000000013, 1.7111500000000015 ], [ 11.203540000000006, 3.3030100000000013, 1.8470500000000023 ], [ 3.082989999999997, 1.101, 2.7498500000000057 ], [ 8.984110000000001, 1.101, 5.021689999999994 ], [ 5.302430000000001, 3.3030100000000013, 5.924489999999998 ], [ 0.96262, 3.3030100000000013, 6.060389999999998 ], [ 10.839610000000004, 1.101, 9.482679999999998 ], [ 6.499799999999994, 1.101, 9.61858 ], [ 2.818119999999994, 3.3030100000000013, 10.521380000000004 ], [ 8.71923, 3.3030100000000013, 12.793219999999993 ], [ 0.5986900000000006, 1.101, 13.696019999999995 ], [ 4.9384999999999994, 1.101, 13.831919999999997 ], [ 9.131239999999996, 1.101, 0.08673000000000003 ], [ 3.2301300000000053, 1.101, 7.6848100000000015 ], [ 8.572100000000002, 3.3030100000000013, 7.858259999999996 ], [ 2.670989999999998, 3.3030100000000013, 15.45634 ], [ 8.977040000000006, 3.3030100000000013, 3.341530000000006 ], [ 3.0759300000000023, 3.3030100000000013, 4.430009999999994 ], [ 8.726300000000005, 1.101, 11.113060000000004 ], [ 2.825190000000001, 1.101, 12.201539999999993 ] ]

[{"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]

[ "Sm", "Sm", "Sm", "Sm", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Tl", "Tl", "Tl", "Tl", "Zn", "Zn", "Zn", "Zn" ]

2024-11-01 00:00:00

[ 0.16666666666666666, 0.5, 0.16666666666666666, 0.16666666666666666 ]

[ [ 1.16858198, 0, 0 ], [ 0, 1.02563801, 0 ], [ 0, 0, 1.9095754 ] ]

-91.3433

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0.004278, 0, 0.005217 ], [ 0.004278, 0, -0.005217 ], [ -0.004278, 0, 0.005217 ], [ -0.004278, 0, -0.005217 ], [ 0.006135, 0, 0.036535 ], [ 0.002323, 0, 0.009919 ], [ 0.005799, 0, 0.001401 ], [ 0.005799, 0, -0.001401 ], [ 0.002323, 0, -0.009919 ], [ 0.006135, 0, -0.036535 ], [ -0.006135, 0, 0.036535 ], [ -0.002323, 0, 0.009919 ], [ -0.005799, 0, 0.001401 ], [ -0.005799, 0, -0.001401 ], [ -0.002323, 0, -0.009919 ], [ -0.006135, 0, -0.036535 ], [ -0.000802, 0, 0.017374 ], [ -0.000802, 0, -0.017374 ], [ 0.000802, 0, 0.017374 ], [ 0.000802, 0, -0.017374 ], [ 0.015313, 0, 0.042607 ], [ 0.015313, 0, -0.042607 ], [ -0.015313, 0, 0.042607 ], [ -0.015313, 0, -0.042607 ] ]

0.007129

null

pbe

true

670c168f126d223532fe6e6693362a3a_62_Sm4Tl4Zn4Te12

[ "Cs", "Ho", "O", "W" ]

12

A8B2CD

CsHoO8W2

Cs1 Ho1 O8 W2

4

[ 1, 1, 1 ]

3

[ [ 5.981165723, 0, 0 ], [ -2.990582862, 5.17984146, 0 ], [ 0, 0, 7.948382572 ] ]

oqmd-5621999

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[{"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]

[ "Cs", "Ho", "O", "O", "O", "O", "O", "O", "O", "O", "W", "W" ]

2024-11-01 00:00:00

[ 0.08333333333333333, 0.08333333333333333, 0.6666666666666666, 0.16666666666666666 ]

[ [ 30.16205488, 0, 0 ], [ 0, 30.16205488, 0 ], [ 0, 0, 24.72553927 ] ]

-101.671

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[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.001137, 0.000656, -0.005996 ], [ -0.001137, 0.000656, -0.005996 ], [ 0, -0.001313, -0.005996 ], [ 0, 0, -0.038999 ], [ 0, 0, 0.038999 ], [ 0, 0.001313, 0.005996 ], [ 0.001137, -0.000656, 0.005996 ], [ -0.001137, -0.000656, 0.005996 ], [ 0, 0, 0.234233 ], [ 0, 0, -0.234233 ] ]

0.005133

null

pbe

false

668890bff772aa5a09cd67170123be4a_164_Cs1Ho1W2O8

[ "N", "Na", "W" ]

9

A5B3C

N5NaW3

N5 Na1 W3

3

[ 1, 1, 1 ]

3

[ [ 5.271735767, 0, 0 ], [ -2.635867884, 4.565457096, 0 ], [ 0, 0, 5.528534329 ] ]

oqmd-6071919

[ [ 2.6358700000000006, 1.52182, 1.4 ], [ 1.0733559126425561e-16, 3.04364, 1.4 ], [ 0, 0, 2.76427 ], [ 2.6358700000000006, 1.52182, 4.12853 ], [ 1.0733559126425561e-16, 3.04364, 4.12853 ], [ 0, 0, 0 ], [ 2.6358700000000006, 0, 2.76427 ], [ -1.317934780312591, 2.28273, 2.76427 ], [ 1.3179300000000005, 2.28273, 2.76427 ] ]

[{"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]

[ "N", "N", "N", "N", "N", "Na", "W", "W", "W" ]

2024-11-01 00:00:00

[ 0.5555555555555556, 0.1111111111111111, 0.3333333333333333 ]

[ [ 32.77880848, 0, 0 ], [ 0, 32.77880848, 0 ], [ 0, 0, 21.8870244 ] ]

-76.4188

[ 0, 0, -0.001, 0, 0, 0, -0.003, -0.006, -0.003 ]

[ [ 0, 0, 0.028248 ], [ 0, 0, 0.028248 ], [ 0, 0, 0 ], [ 0, 0, -0.028248 ], [ 0, 0, -0.028248 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.018238

null

pbe

true

b2e31d25ca4888edcfa06d5df4832227_191_Na1W3N5

[ "Al", "Au", "Nb", "Rh" ]

4

ABCD

AlAuNbRh

Al1 Au1 Nb1 Rh1

4

[ 1, 1, 1 ]

3

[ [ 0, 3.175735, 3.175735 ], [ 3.175735, 0, 3.175735 ], [ 3.175735, 3.175735, 0 ] ]

oqmd-3017326

[ [ 3.1757299999999975, 3.1757299999999975, 3.1757299999999975 ], [ 4.763610000000001, 4.763610000000001, 4.763610000000001 ], [ 1.587869999999998, 1.587869999999998, 1.587869999999998 ], [ 0, 0, 0 ] ]

[{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}]

[ "Al", "Au", "Nb", "Rh" ]

2024-11-01 00:00:00

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 7.60895, 0, 0 ], [ 0, 7.60895, 0 ], [ 0, 0, 7.60895 ] ]

-25.5858

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.011286

null

pbe

false

428b4a4a84a96504ec255c20e960ee91_216_Nb1Al1Rh1Au1

[ "Cu", "N", "O", "Pb", "Tl" ]

22

A12B6C2DE

CuN6O12PbTl2

Cu1 N6 O12 Pb1 Tl2

5

[ 1, 1, 1 ]

3

[ [ 5.018279, -5.018279, 0 ], [ -5.018279, 0, -5.018279 ], [ 5.018279, 5.018279, 0 ] ]

oqmd-1988487

[ [ 0, 0, 0 ], [ 5.018280000000003, -3.0277500000000006, 0 ], [ 1.9905400000000009, 9.156597423198827e-18, 0 ], [ 9.156597423198827e-18, 9.156597423198827e-18, -1.9905400000000009 ], [ 8.046019999999995, 3.3929097707486024e-16, 0 ], [ 5.018280000000003, 3.027750000000001, 0 ], [ 5.018280000000003, 3.760518399481702e-16, -3.027750000000001 ], [ 2.6142100000000013, -1.0743699999999992, 0 ], [ -1.0743699999999994, 2.7759622929507104e-17, -2.6142100000000017 ], [ 2.0200841425341612e-16, -2.4040599999999994, -3.9439199999999976 ], [ 2.6142100000000013, 1.0743699999999992, 0 ], [ 1.074369999999999, -6.18900687815139e-17, -2.6142100000000017 ], [ 5.018279999999998, -2.404059999999999, -1.0743699999999992 ], [ 7.422339999999997, -1.0743699999999992, 0 ], [ 3.943919999999998, -5.998510968608435e-17, -2.404059999999999 ], [ -5.998510968608435e-17, 2.4040599999999994, -3.9439199999999976 ], [ 6.092639999999999, -1.3010190757829004e-16, -2.404059999999999 ], [ 7.422339999999997, 1.0743699999999994, 0 ], [ 5.018279999999999, 2.4040599999999994, -1.0743699999999992 ], [ 5.018280000000003, -2.4557162784642968e-17, 0 ], [ 2.509139999999997, -2.5091399999999973, -2.5091400000000017 ], [ 2.509139999999997, 2.509139999999997, -2.5091400000000017 ] ]

[{"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}]

[ "Cu", "N", "N", "N", "N", "N", "N", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "Pb", "Tl", "Tl" ]

2024-11-01 00:00:00

[ 0.045454545454545456, 0.2727272727272727, 0.5454545454545454, 0.045454545454545456, 0.09090909090909093 ]

[ [ 26.28185, 0, 0 ], [ 0, 26.28185, 0 ], [ 0, 0, 26.28185 ] ]

-126.54

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, -0.993987, 0 ], [ -0.993987, 0, 0 ], [ 0, 0, 0.993987 ], [ 0.993987, 0, 0 ], [ 0, 0.993987, 0 ], [ 0, 0, -0.993987 ], [ 0.742075, -0.664049, 0 ], [ -0.664049, 0, -0.742075 ], [ 0, 0.742075, 0.664049 ], [ 0.742075, 0.664049, 0 ], [ 0.664049, 0, -0.742075 ], [ 0, 0.742075, -0.664049 ], [ -0.742075, -0.664049, 0 ], [ -0.664049, 0, 0.742075 ], [ 0, -0.742075, 0.664049 ], [ 0.664049, 0, 0.742075 ], [ -0.742075, 0.664049, 0 ], [ 0, -0.742075, -0.664049 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

null

pbe

false

f4baeb43e4f607dcfda30988b323079d_202_Tl2Cu1Pb1N6O12

[ "C", "F" ]

36

A11B7

C11F7

C11 F7

2

[ 1, 1, 1 ]

3

[ [ -4.298897, -3.716272, 0.164644 ], [ 4.298897, -3.716272, -0.164644 ], [ -2.464172, 0, 12.416204 ] ]

oqmd-2074825

[ [ -0.5315800000000012, -2.515640000000002, 0.43654000000000054 ], [ -0.5315799999999965, -4.9169, 0.4365400000000003 ], [ -1.0885000000000016, -3.7162699999999993, 0.8950599999999996 ], [ -2.162809999999999, -3.7162699999999993, 1.7806899999999988 ], [ -3.100960000000003, -3.716269999999999, 2.550230000000006 ], [ -4.184840000000001, -3.71627, 3.4269700000000003 ], [ -0.4458300000000006, -1.1973600000000018, 3.7206300000000025 ], [ -0.4458300000000009, -6.235169999999998, 3.7206300000000025 ], [ -1.52743, -1.20762, 4.58157 ], [ -1.5274300000000034, -6.224929999999999, 4.581570000000001 ], [ 2.21595, -3.7162700000000024, 4.832940000000007 ], [ -4.680120000000002, -3.7162699999999993, 7.583260000000005 ], [ -0.9367399999999996, -1.20762, 7.8346399999999985 ], [ -0.93674, -6.224930000000003, 7.8346399999999985 ], [ -2.0183500000000016, -1.197359999999998, 8.695580000000003 ], [ -2.018350000000002, -6.235170000000003, 8.695580000000003 ], [ 1.7206599999999992, -3.71627, 8.989230000000004 ], [ 0.6367999999999997, -3.716270000000003, 9.86597 ], [ -0.3013499999999996, -3.7162699999999993, 10.635510000000004 ], [ -1.3756699999999986, -3.716270000000003, 11.52114 ], [ -1.9325800000000009, -2.515639999999998, 11.979659999999996 ], [ -1.9325800000000009, -4.9169, 11.979659999999996 ], [ -1.0539799999999997, -1.3532999999999995, 0.8659299999999998 ], [ -1.053980000000003, -6.079240000000001, 0.8659299999999999 ], [ 0.08775999999999978, -2.36342, 3.3144000000000062 ], [ 0.08775999999999978, -5.069119999999998, 3.3144000000000062 ], [ -2.039700000000001, -2.361839999999999, 5.0333700000000015 ], [ -2.039700000000001, -5.070699999999999, 5.0333700000000015 ], [ 1.1523099999999993, -3.716270000000003, 5.649089999999999 ], [ -3.616470000000002, -3.7162699999999984, 6.767110000000006 ], [ -0.4244800000000014, -2.361839999999999, 7.382830000000003 ], [ -0.4244800000000012, -5.070699999999999, 7.382830000000003 ], [ -2.551939999999998, -2.36342, 9.10181 ], [ -2.551939999999998, -5.069119999999998, 9.10181 ], [ -1.4101900000000005, -1.3532999999999995, 11.550280000000004 ], [ -1.410189999999997, -6.079240000000001, 11.550280000000004 ] ]

[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}]

[ "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F" ]

2024-11-01 00:00:00

[ 0.6111111111111112, 0.3888888888888889 ]

[ [ 52.87544, 0, -3.79003 ], [ 0, 48.0897, 0 ], [ -3.79003, 0, 50.60912 ] ]

-246.698

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[ [ -0.008629, -0.007359, 0.008432 ], [ -0.008629, 0.007359, 0.008432 ], [ 0.009182, 0, -0.006192 ], [ -0.045925, 0, 0.037581 ], [ 0.025357, 0, -0.019392 ], [ -0.043248, 0, 0.036984 ], [ -0.010946, 0.006996, 0.012988 ], [ -0.010946, -0.006996, 0.012988 ], [ -0.037275, -0.018559, 0.032543 ], [ -0.037275, 0.018559, 0.032543 ], [ -0.00596, 0, -0.008598 ], [ 0.00596, 0, 0.008598 ], [ 0.037275, -0.018559, -0.032543 ], [ 0.037275, 0.018559, -0.032543 ], [ 0.010946, 0.006996, -0.012988 ], [ 0.010946, -0.006996, -0.012988 ], [ 0.043248, 0, -0.036984 ], [ -0.025357, 0, 0.019392 ], [ 0.045925, 0, -0.037581 ], [ -0.009182, 0, 0.006192 ], [ 0.008629, -0.007359, -0.008432 ], [ 0.008629, 0.007359, -0.008432 ], [ -0.001794, 0.033734, -0.009634 ], [ -0.001794, -0.033734, -0.009634 ], [ -0.037291, -0.011464, 0.031968 ], [ -0.037291, 0.011464, 0.031968 ], [ 0.005151, -0.029334, 0.030356 ], [ 0.005151, 0.029334, 0.030356 ], [ 0.021912, 0, -0.014634 ], [ -0.021912, 0, 0.014634 ], [ -0.005151, -0.029334, -0.030356 ], [ -0.005151, 0.029334, -0.030356 ], [ 0.037291, -0.011464, -0.031968 ], [ 0.037291, 0.011464, -0.031968 ], [ 0.001794, 0.033734, 0.009634 ], [ 0.001794, -0.033734, 0.009634 ] ]

null

pbe

false

0361d1bbbc5947ae6dcc20c92a221030_12_C22F14

[ "Cl", "Tm" ]

10

A4B

Cl4Tm

Cl4 Tm1

2

[ 1, 1, 1 ]

3

[ [ 3.406316596, -5.857043357, 0 ], [ 3.406316596, 5.857043357, 0 ], [ -0.729022431, 0, 9.253479663 ] ]

oqmd-7790050

[ [ 5.9358699999999995, 3.482810591414531e-16, 1.47818 ], [ 2.1361800000000004, -2.1649800000000003, 1.47915 ], [ 2.1361800000000004, 2.16498, 1.47915 ], [ 3.87197, -1.8465370774065767e-16, 4.07122 ], [ 2.21164, 2.0171026367588494e-16, 5.182260000000001 ], [ 3.94743, -2.16498, 7.77433 ], [ 3.94743, 2.1649800000000003, 7.77433 ], [ 0.14773999999999982, -4.970090313539372e-17, 7.7753 ], [ 3.40632, -3.88667, 0 ], [ 3.40632, 3.88667, 0 ] ]

[{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}]

[ "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Tm", "Tm" ]

2024-11-01 00:00:00

[ 0.8, 0.2 ]

[ [ 6.2346865, 0, 0.11003521 ], [ 0, 6.19067457, 0 ], [ 0.11003521, 0, 4.48290046 ] ]

-41.931

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ -0.008043, 0, 0.043301 ], [ 0.014482, 0.016237, 0.059931 ], [ 0.014482, -0.016237, 0.059931 ], [ 0.021523, 0, 0.007758 ], [ -0.021523, 0, -0.007758 ], [ -0.014482, 0.016237, -0.059931 ], [ -0.014482, -0.016237, -0.059931 ], [ 0.008043, 0, -0.043301 ], [ 0, 0.002286, 0 ], [ 0, -0.002286, 0 ] ]

0.001605

null

pbe

true

14b70ede49b2aabc29d221fa31165cdb_12_Tm2Cl8

[ "B", "Ga", "Mo" ]

5

A2B2C

B2GaMo2

B2 Ga1 Mo2

3

[ 1, 1, 1 ]

3

[ [ 1.541986142, -5.757091838, 0 ], [ 1.541986142, 5.757091838, 0 ], [ 0, 0, 3.170960203 ] ]

oqmd-8874245

[ [ 1.5419900000000002, -3.34462, 0 ], [ 1.5419900000000002, 3.3446200000000004, 0 ], [ 0, 0, 0 ], [ 1.54199, -1.64096, 1.58548 ], [ 1.54199, 1.64096, 1.58548 ] ]

[{"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}]

[ "B", "B", "Ga", "Mo", "Mo" ]

2024-11-01 00:00:00

[ 0.4, 0.2, 0.4 ]

[ [ 10.74823654, 0, 0 ], [ 0, 3.35753775, 0 ], [ 0, 0, 9.36006017 ] ]

-39.5695

[ 0, 0, 0, -0.001, -0.001 ]

[ [ 0, 0.028688, 0 ], [ 0, -0.028688, 0 ], [ 0, 0, 0 ], [ 0, -0.030722, 0 ], [ 0, 0.030722, 0 ] ]

-0.006842

null

pbe

true

5df31ac0f163e2c37e660336a2d2db38_65_Ga1B2Mo2

[ "As", "Rb", "Te" ]

3

ABC

AsRbTe

As1 Rb1 Te1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.801051, 3.801051 ], [ 3.801051, 0, 3.801051 ], [ 3.801051, 3.801051, 0 ] ]

oqmd-3092102

[ [ 0, 0, 0 ], [ 1.9005300000000032, 1.9005300000000032, 1.9005300000000032 ], [ 5.70158, 5.70158, 5.70158 ] ]

[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}]

[ "As", "Rb", "Te" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 1.23535, 0, 0 ], [ 0, 1.23535, 0 ], [ 0, 0, 1.23535 ] ]

-8.63238

[ 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

null

pbe

false

e0cceff260c64dc93746ffd70a6bade0_216_Rb1Te1As1

[ "Mn", "Pt", "Tm" ]

3

ABC

MnPtTm

Mn1 Pt1 Tm1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.216696, 3.216696 ], [ 3.216696, 0, 3.216696 ], [ 3.216696, 3.216696, 0 ] ]

oqmd-2840502

[ [ 1.608340000000002, 1.608340000000002, 1.608340000000002 ], [ 0, 0, 0 ], [ 4.825040000000001, 4.825040000000001, 4.825040000000001 ] ]

[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}]

[ "Mn", "Pt", "Tm" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 5.8101, 0, 0 ], [ 0, 5.8101, 0 ], [ 0, 0, 5.8101 ] ]

-21.0238

[ 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

4.13055

null

pbe

false

3ece2362ee32542a39252a9694155a18_216_Tm1Mn1Pt1

[ "Dy", "Ga", "P" ]

5

A3BC

DyGa3P

Dy1 Ga3 P1

3

[ 1, 1, 1 ]

3

[ [ 4.76636526, 0, 0 ], [ 0, 4.76636526, 0 ], [ 0, 0, 4.76636526 ] ]

oqmd-5610214

[ [ 0, 0, 0 ], [ 2.3831800000000007, 2.3831800000000007, 0 ], [ 2.3831800000000007, 0, 2.3831800000000007 ], [ 0, 2.3831800000000007, 2.3831800000000007 ], [ 2.3831800000000007, 2.3831800000000007, 2.3831800000000007 ] ]

[{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]

[ "Dy", "Ga", "Ga", "Ga", "P" ]

2024-11-01 00:00:00

[ 0.2, 0.6, 0.2 ]

[ [ 10.89510255, 0, 0 ], [ 0, 10.89510255, 0 ], [ 0, 0, 10.89510255 ] ]

-18.5975

[ 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.000443

null

pbe

true

9a80c8af4800f1e0416e8b7e6c458bb4_221_Dy1Ga3P1

[ "Hf", "O", "Tm" ]

5

A3BC

HfO3Tm

Hf1 O3 Tm1

3

[ 1, 1, 1 ]

3

[ [ 4.103244646, 0, 0 ], [ 0, 2.847119458, 3.021610706 ], [ 0, -2.847119458, 3.021610706 ] ]

oqmd-8665570

[ [ 2.05162, 8.703056278903356e-17, 3.1483199999999996 ], [ 2.05162, 1.6234700000000002, 1.94048 ], [ 0, 6.8687880043364e-17, 3.27106 ], [ 2.05162, -1.6234700000000002, 1.94048 ], [ 0, 1.606357848122903e-16, 5.45433 ] ]

[{"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": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}]

[ "Hf", "O", "O", "O", "Tm" ]

2024-11-01 00:00:00

[ 0.2, 0.6, 0.2 ]

[ [ 32.59914, 0, 0 ], [ 0, 25.78393, 0 ], [ 0, 0, 40.11238 ] ]

-44.2058

[ 0, 0, 0, 0, 0.001 ]

[ [ 0, 0, 0.093932 ], [ 0, 0.009625, -0.027875 ], [ 0, 0, -0.036131 ], [ 0, -0.009625, -0.027875 ], [ 0, 0, -0.002051 ] ]

0.003712

null

pbe

true

10bd6848e48b6b36b0be7a31fe668e19_38_Tm1Hf1O3

[ "As", "Eu", "O", "Pm" ]

8

ABCD

AsEuOPm

As1 Eu1 O1 Pm1

4

[ 1, 1, 1 ]

3

[ [ 4.20470077, 0, 0 ], [ 0, 6.92145237, 0 ], [ 0, 0, 6.860277854 ] ]

oqmd-5480117

[ [ 0, 4.84709, 2.3721299999999967 ], [ 0, 2.074370000000003, 5.802270000000003 ], [ 0, 0.9391300000000012, 2.9160499999999985 ], [ 0, 5.982330000000001, 6.346189999999997 ], [ 2.1023500000000004, 1.897880000000003, 2.587340000000001 ], [ 2.1023500000000004, 5.023569999999999, 6.01748 ], [ 2.1023500000000004, 3.2349699999999983, 0.727259999999999 ], [ 2.1023500000000004, 3.6864899999999974, 4.157399999999998 ] ]

[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Eu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Eu"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}]

[ "As", "As", "Eu", "Eu", "O", "O", "Pm", "Pm" ]

2024-11-01 00:00:00

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 11.6894259, 0, 0 ], [ 0, 8.36727099, 0 ], [ 0, 0, 14.84349823 ] ]

-49.8288

[ 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0.007274, 0.014865 ], [ 0, -0.007274, 0.014865 ], [ 0, 0.02513, -0.030718 ], [ 0, -0.02513, -0.030718 ], [ 0, -0.015236, 0.016972 ], [ 0, 0.015236, 0.016972 ], [ 0, 0.031056, -0.001119 ], [ 0, -0.031056, -0.001119 ] ]

0.000689

null

pbe

false

037a04e2c07b6d6fb12760ca68b0d3ce_26_Pm2Eu2As2O2

[ "Cu", "Mo", "O", "Sb" ]

24

A8B2CD

CuMo2O8Sb

Cu1 Mo2 O8 Sb1

4

[ 1, 1, 1 ]

3

[ [ 0, 4.890264, 0 ], [ 5.55611, 0, -0.005835 ], [ -2.12489, -2.445132, -10.652928 ] ]

oqmd-2017464

[ [ -1.0624442012585344, 1.222569999999999, -5.326459995587854 ], [ 1.7156099999999994, -1.2225656557819728, -5.32938 ], [ 1.0146100000000005, 1.2578799999999992, -2.9223100000000004 ], [ 3.7926700000000033, 3.632390000000001, -2.9252299999999964 ], [ -0.3614499999999992, -1.1872500000000024, -7.733530000000003 ], [ 2.4166099999999986, 1.187250000000002, -7.73645 ], [ 0.4455999999999983, 0.4403800000000005, -1.1093699999999995 ], [ 3.2236600000000015, 4.449880000000003, -1.112289999999996 ], [ 2.3255199999999987, 2.2444800000000003, -2.165589999999995 ], [ 5.1035699999999995, 2.645779999999998, -2.168509999999999 ], [ 1.893100000000001, -0.22851999999999945, -3.446409999999995 ], [ 4.671150000000002, 0.22851999999999945, -3.449329999999999 ], [ 0.7546699999999972, 2.082469999999998, -4.489170000000001 ], [ 3.532719999999999, 2.807789999999996, -4.4920900000000055 ], [ -0.10150000000000148, -0.36266000000000154, -6.166670000000004 ], [ 2.676550000000002, 0.3626599999999992, -6.169589999999998 ], [ -1.23993, 2.216610000000002, -7.209429999999999 ], [ 1.5381199999999988, 2.6736499999999968, -7.212350000000004 ], [ -1.6723500000000002, -0.20065000000000136, -8.49025 ], [ 1.1057, 0.20064999999999647, -8.493170000000005 ], [ 2.9856200000000004, 2.004750000000002, -9.54939 ], [ 0.20755999999999997, -2.004750000000001, -9.546480000000004 ], [ 1.389030248755882, 3.9066502862458647, -0.001458752886730207 ], [ 4.167080748361988, 0.9836108611475628, -0.004376248160438184 ] ]

[{"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}]

[ "Cu", "Cu", "Mo", "Mo", "Mo", "Mo", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "Sb", "Sb" ]

2024-11-01 00:00:00

[ 0.08333333333333333, 0.16666666666666666, 0.6666666666666666, 0.08333333333333333 ]

[ [ 10.05805, 0, -0.15307 ], [ 0, 9.74174, 0 ], [ -0.15307, 0, 9.34904 ] ]

-173.413

[ 0, 0, 0.001, 0.001, 0.001, 0.001, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.005194, 0.003288, -0.005279 ], [ 0.005194, -0.003288, -0.005279 ], [ -0.005194, 0.003288, 0.005279 ], [ -0.005194, -0.003288, 0.005279 ], [ -0.009119, 0.003886, -0.010484 ], [ -0.009119, -0.003886, -0.010484 ], [ 0.01755, 0.000402, 0.016345 ], [ 0.01755, -0.000402, 0.016345 ], [ 0.010645, -0.023169, -0.01484 ], [ 0.010645, 0.023169, -0.01484 ], [ -0.022293, -0.023399, 0.033072 ], [ -0.022293, 0.023399, 0.033072 ], [ 0.022293, -0.023399, -0.033072 ], [ 0.022293, 0.023399, -0.033072 ], [ -0.010645, -0.023169, 0.01484 ], [ -0.010645, 0.023169, 0.01484 ], [ -0.01755, 0.000402, -0.016345 ], [ -0.01755, -0.000402, -0.016345 ], [ 0.009119, -0.003886, 0.010484 ], [ 0.009119, 0.003886, 0.010484 ], [ 0, -0.037072, 0 ], [ 0, 0.037072, 0 ] ]

-0.009958

null

pbe

false

6d83d37f1d3e29b3ce915f92a090f08d_15_Cu2Sb2Mo4O16

[ "Na", "O", "P", "Sb" ]

12

A8B2CD

NaO8P2Sb

Na1 O8 P2 Sb1

4

[ 1, 1, 1 ]

3

[ [ 2.350083354, 1.356821257, 7.598383225 ], [ -2.350083354, 1.356821257, 7.598383225 ], [ 0, -2.713642515, 7.598383225 ] ]

oqmd-5539845

[ [ -4.0849210849896585e-17, -2.788178017442094e-16, 11.397570000000004 ], [ 0.7701600000000008, 1.4734399999999994, 8.792159999999996 ], [ 6.718554009847569e-18, 2.3086204619757893e-15, 4.330060000000001 ], [ -0.8909599999999995, 1.4037000000000008, 14.002990000000004 ], [ -1.6611200000000008, -0.06973999999999927, 8.79216 ], [ 1.661119999999998, 0.06973999999999875, 14.002990000000004 ], [ 0.890960000000001, -1.4037000000000002, 8.792160000000008 ], [ 9.233041883638212e-17, -9.619075908834184e-16, 18.46508999999999 ], [ -0.7701600000000007, -1.4734400000000003, 14.002990000000004 ], [ -4.5745108649818754e-17, 1.7750299499755457e-15, 5.814169999999998 ], [ 2.405501402981281e-17, 1.577213096688775e-17, 16.980979999999995 ], [ 0, 0, 0 ] ]

[{"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}]

[ "Na", "O", "O", "O", "O", "O", "O", "O", "O", "P", "P", "Sb" ]

2024-11-01 00:00:00

[ 0.08333333333333333, 0.6666666666666666, 0.16666666666666666, 0.08333333333333333 ]

[ [ 45.08999489, -5e-8, 0 ], [ -5e-8, 45.08999489, 0 ], [ 0, 0, 31.49951569 ] ]

-78.8393

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ -0.006952, 0.051459, 0.035327 ], [ 0, 0, 0.026118 ], [ -0.048041, 0.019708, -0.035327 ], [ -0.041088, -0.03175, 0.035327 ], [ 0.041088, 0.03175, -0.035327 ], [ 0.048041, -0.019708, 0.035327 ], [ 0, 0, -0.026118 ], [ 0.006952, -0.051459, -0.035327 ], [ 0, 0, -0.062521 ], [ 0, 0, 0.062521 ], [ 0, 0, 0 ] ]

null

pbe

false

9daf73224cb2530ee3b20edcb155fbc2_148_Na1Sb1P2O8

[ "O", "P", "Rh", "Sn" ]

8

ABCD

OPRhSn

O1 P1 Rh1 Sn1

4

[ 1, 1, 1 ]

3

[ [ 3.772199246, 0, 0 ], [ 0, 6.708967319, 0 ], [ 0, 0, 5.53359955 ] ]

oqmd-7121960

[ [ 0, 6.21246, 2.43941 ], [ 0, 0.49651, 5.20621 ], [ 1.8861, 2.723, 1.7174000000000005 ], [ 1.8861, 3.985970000000001, 4.484200000000001 ], [ 1.8861, 4.812190000000001, 2.36538 ], [ 1.8861, 1.89678, 5.13218 ], [ 0, 5.29201, 0.4169300000000001 ], [ 0, 1.4169600000000002, 3.1837300000000006 ] ]

[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]

[ "O", "O", "P", "P", "Rh", "Rh", "Sn", "Sn" ]

2024-11-01 00:00:00

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 18.84309866, 0, 0 ], [ 0, 26.25372642, 0 ], [ 0, 0, 11.31356952 ] ]

-46.0897

[ 0, 0, 0, 0, 0, -0.001, 0, 0 ]

[ [ 0, 0.011437, -0.048261 ], [ 0, -0.011437, -0.048261 ], [ 0, -0.00286, -0.0762 ], [ 0, 0.00286, -0.0762 ], [ 0, -0.035394, 0.060254 ], [ 0, 0.035394, 0.060254 ], [ 0, 0.010891, 0.064206 ], [ 0, -0.010891, 0.064206 ] ]

-0.000171

null

pbe

false

b8449fb736a6e5874a68a4310d74e43e_26_Sn2P2Rh2O2

[ "Ag", "Gd", "In", "Nd", "Pt" ]

9

A3B2C2DE

AgGdIn3Nd2Pt2

Ag1 Gd1 In3 Nd2 Pt2

5

[ 1, 1, 1 ]

3

[ [ 3.943139152, 0, 0 ], [ 0, 6.813488238, 3.944991874 ], [ 0, -6.813488238, 3.944991874 ] ]

oqmd-6908550

[ [ 0, -2.1995203101961733e-18, 0.01319 ], [ 0, -5.241817373959531e-16, 3.25806 ], [ 1.97157, 1.7860899999999995, 1.05023 ], [ 1.97157, -1.7860899999999995, 1.05023 ], [ 1.97157, -1.826981669248905e-15, 5.79758 ], [ 0, 2.808419999999999, 6.261100000000001 ], [ 0, -2.808420000000001, 6.2611 ], [ 1.97157, 2.231369999999999, 3.93423 ], [ 1.97157, -2.231370000000001, 3.93423 ] ]

[{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]

[ "Ag", "Gd", "In", "In", "In", "Nd", "Nd", "Pt", "Pt" ]

2024-11-01 00:00:00

[ 0.1111111111111111, 0.1111111111111111, 0.3333333333333333, 0.2222222222222222, 0.2222222222222222 ]

[ [ 3.25737867, 0, 0 ], [ 0, 2.80717295, 0 ], [ 0, 0, 2.52995074 ] ]

-44.5571

[ 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0.014492 ], [ 0, 0, 0.02264 ], [ 0, -0.019566, -0.021002 ], [ 0, 0.019566, -0.021002 ], [ 0, 0, 0.04053 ], [ 0, 0.016695, -0.017858 ], [ 0, -0.016695, -0.017858 ], [ 0, -0.000884, 0.000029 ], [ 0, 0.000884, 0.000029 ] ]

0.007191

null

pbe

true

6948b7d66d5d458f8048c9195b74d79e_38_Nd2Gd1In3Ag1Pt2

[ "Al" ]

12

A

Al

Al1

1

[ 1, 1, 1 ]

3

[ [ 5.331062562, 0, 0 ], [ -2.665531281, 4.616835608, 0 ], [ 0, 0, 8.517904222 ] ]

oqmd-8179624

[ [ 0, 0, 0 ], [ -2.167812582713282e-17, 3.07789, 0.59008 ], [ 1.36976, 0.7908299999999999, 2.12948 ], [ 3.961300000000001, 0.7908299999999999, 2.12948 ], [ 2.6655300000000004, 3.03517, 2.12948 ], [ -2.167812582713282e-17, 3.07789, 3.66887 ], [ 0, 0, 4.25895 ], [ 2.66553, 1.53895, 4.84903 ], [ -9.60036696366563e-18, 1.5816599999999998, 6.38843 ], [ -1.29577, 3.826, 6.38843 ], [ 1.29577, 3.826, 6.38843 ], [ 2.66553, 1.53895, 7.92782 ] ]

[{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}]

[ "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al" ]

2024-11-01 00:00:00

[ 1 ]

[ [ -1.21682952, 0, 0 ], [ 0, -1.21682952, 0 ], [ 0, 0, -1.74956246 ] ]

-43.1795

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, -0.01197 ], [ 0.010454, 0.006036, 0 ], [ -0.010454, 0.006036, 0 ], [ 0, -0.012071, 0 ], [ 0, 0, 0.01197 ], [ 0, 0, 0 ], [ 0, 0, -0.01197 ], [ 0, 0.012071, 0 ], [ 0.010454, -0.006036, 0 ], [ -0.010454, -0.006036, 0 ], [ 0, 0, 0.01197 ] ]

null

pbe

false

c0aa4ff75db4594c6eb1b0ea389908cc_194_Al12

[ "S" ]

4

A

S

S1

1

[ 1, 1, 1 ]

3

[ [ 0, 0, 3.821345 ], [ 4.773505, 0, 0 ], [ 2.386753, 5.10699, 0 ] ]

oqmd-4114846

[ [ 2.3867600000000007, 0.940989999999998, 3.819440000000002 ], [ 4.77351, 0.940989999999998, 1.9125899999999996 ], [ 2.3867500000000006, 4.166000000000001, 1.908759999999999 ], [ 4.773509999999998, 4.166000000000001, 0.0019099999999999985 ] ]

[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}]

[ "S", "S", "S", "S" ]

2024-11-01 00:00:00

[ 1 ]

[ [ 4.70612, 0, 0 ], [ 0, 8.58708, 0 ], [ 0, 0, 14.27847 ] ]

-15.6774

[ 0, 0, 0, 0 ]

[ [ 0, 0.071746, 0.006187 ], [ 0, 0.071746, -0.006187 ], [ 0, -0.071746, 0.006187 ], [ 0, -0.071746, -0.006187 ] ]

null

pbe

false

c963d462c080785486a6947cfa6c1dbe_69_S4

[ "Ag", "Cu" ]

10

A3B2

Ag2Cu3

Ag2 Cu3

2

[ 1, 1, 1 ]

3

[ [ 9.326295769, -1.385979514, 0 ], [ 9.326295769, 1.385979514, 0 ], [ -0.825641204, 0, 5.50980769 ] ]

oqmd-9968975

[ [ 14.56939, -3.299055587787865e-17, 2.18175 ], [ 7.1028199999999995, -2.855013285229953e-17, 3.90359 ], [ 10.461550000000004, 2.2536144844495716e-18, 4.39425 ], [ 14.068640000000002, 1.2077555150012686e-18, 4.95266 ], [ 0.04571000000000001, 2.61526699147818e-19, 0.17554000000000003 ], [ 3.48985, 2.4363038029852468e-17, 0.6133100000000001 ], [ 7.4249, -3.6011036430784896e-17, 1.11492 ], [ 10.94171, -1.8815946708246628e-17, 1.65573 ], [ -0.32845, -1.2273385051727845e-19, 2.6003 ], [ 3.1188599999999997, 1.8155929989502977e-17, 3.2020800000000005 ] ]

[{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}]

[ "Ag", "Ag", "Ag", "Ag", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu" ]

2024-11-01 00:00:00

[ 0.4, 0.6 ]

[ [ 14.43460252, 0, -2.6198327 ], [ 0, 32.17579072, 0 ], [ -2.6198327, 0, 31.30410625 ] ]

-32.7824

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0.030624, 0, -0.021933 ], [ -0.005178, 0, 0.016136 ], [ -0.009345, 0, -0.014084 ], [ -0.010072, 0, 0.01123 ], [ 0.019643, 0, 0.020331 ], [ 0.010723, 0, -0.003371 ], [ -0.036902, 0, -0.011802 ], [ -0.004586, 0, 0.002505 ], [ 0.005264, 0, 0.003372 ], [ -0.000171, 0, -0.002384 ] ]

null

pbe

true

6514acd9750f5e3f2f1955f4bb275983_8_Cu6Ag4

[ "Tb", "Y" ]

2

AB

TbY

Tb1 Y1

2

[ 1, 1, 1 ]

3

[ [ 0, 3.470614, 3.470614 ], [ 3.470614, 0, 3.470614 ], [ 3.470614, 3.470614, 0 ] ]

oqmd-4134481

[ [ 0, 0, 0 ], [ 1.7353099999999977, 1.7353099999999977, 1.7353099999999977 ] ]

[{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]

[ "Tb", "Y" ]

2024-11-01 00:00:00

[ 0.5, 0.5 ]

[ [ 3.38961, 0, 0 ], [ 0, 3.38961, 0 ], [ 0, 0, 3.38961 ] ]

-7.21064

[ -0.008, -0.007 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.034009

null

pbe

true

4947980b0ce67aa2e2ec17fd81c8e671_216_Tb1Y1

[ "Bi", "N", "O", "Sm" ]

16

ABCD

BiNOSm

Bi1 N1 O1 Sm1

4

[ 1, 1, 1 ]

3

[ [ 5.911567319, 0, 0 ], [ 0, 8.545900234, 0 ], [ 0, 0, 5.865717491 ] ]

oqmd-6209600

[ [ 2.9075999999999995, 3.2122, 2.765950000000001 ], [ 5.863389999999999, 5.3337, 2.765950000000001 ], [ 0.048179999999999994, 3.2122, 5.69881 ], [ 3.0039599999999997, 5.3337, 5.69881 ], [ 2.38006, 3.28561, 0.32177 ], [ 5.335849999999999, 5.260290000000001, 0.32177 ], [ 0.57572, 3.28561, 3.2546300000000006 ], [ 3.5314999999999994, 5.260290000000001, 3.2546300000000006 ], [ 1.46716, 0.07171, 1.25001 ], [ 4.42295, 8.474189999999998, 1.25001 ], [ 1.48862, 0.07171, 4.182870000000001 ], [ 4.444399999999999, 8.474189999999998, 4.182870000000001 ], [ 5.864799999999999, 1.05087, 2.7152000000000003 ], [ 2.90902, 7.49503, 2.7152000000000003 ], [ 3.00255, 1.05087, 5.648060000000001 ], [ 0.04676, 7.49503, 5.648060000000001 ] ]

[{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"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"]}]

[ "Bi", "Bi", "Bi", "Bi", "N", "N", "N", "N", "O", "O", "O", "O", "Sm", "Sm", "Sm", "Sm" ]

2024-11-01 00:00:00

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 19.19813648, 0, 0 ], [ 0, 26.58243536, 0 ], [ 0, 0, 23.90957018 ] ]

-108.238

[ 0.001, 0.001, 0.001, 0.001, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ -0.044564, 0.01162, -0.014777 ], [ -0.044564, -0.01162, -0.014777 ], [ 0.044564, 0.01162, -0.014777 ], [ 0.044564, -0.01162, -0.014777 ], [ -0.01199, 0.012782, -0.030161 ], [ -0.01199, -0.012782, -0.030161 ], [ 0.01199, 0.012782, -0.030161 ], [ 0.01199, -0.012782, -0.030161 ], [ -0.001865, -0.01249, 0.025766 ], [ -0.001865, 0.01249, 0.025766 ], [ 0.001865, -0.01249, 0.025766 ], [ 0.001865, 0.01249, 0.025766 ], [ 0.014779, 0.032601, 0.019172 ], [ 0.014779, -0.032601, 0.019172 ], [ -0.014779, 0.032601, 0.019172 ], [ -0.014779, -0.032601, 0.019172 ] ]

0.031565

null

pbe

true

204ea78f5b6f214e84ac3b02ad00ad71_29_Sm4Bi4N4O4

[ "Ac", "As", "Mo", "O" ]

8

ABCD

AcAsMoO

Ac1 As1 Mo1 O1

4

[ 1, 1, 1 ]

3

[ [ 4.484182912, 0, 0 ], [ 0, 6.596463633, 0 ], [ 0, 0, 6.362991476 ] ]

oqmd-5274548

[ [ 0, 4.764019999999998, 2.7606599999999997 ], [ 0, 1.8324399999999983, 5.942160000000004 ], [ 0, 1.5920500000000013, 2.74066 ], [ 0, 5.004410000000002, 5.922159999999998 ], [ 2.242090000000001, 5.923099999999996, 0.2515699999999999 ], [ 2.242090000000001, 0.6733599999999992, 3.433069999999997 ], [ 2.242090000000001, 5.630249999999998, 2.2262799999999987 ], [ 2.242090000000001, 0.966209999999997, 5.4077800000000025 ] ]

[{"mass": null, "name": "Ac", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ac"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]

[ "Ac", "Ac", "As", "As", "Mo", "Mo", "O", "O" ]

2024-11-01 00:00:00

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 13.48106376, 0, 0 ], [ 0, 9.95447907, 0 ], [ 0, 0, 8.41809868 ] ]

-58.0529

[ 0.004, 0.003, 0, -0.001, 0.188, 0.185, 0.004, 0.005 ]

[ [ 0, -0.006416, 0.013093 ], [ 0, 0.006416, 0.013093 ], [ 0, 0.01331, 0.000674 ], [ 0, -0.01331, 0.000674 ], [ 0, 0.017341, -0.000403 ], [ 0, -0.017341, -0.000403 ], [ 0, -0.007449, -0.013364 ], [ 0, 0.007449, -0.013364 ] ]

0.503231

null

pbe

false

80e363b7a01cfffec9b6ce5605cb4e3d_26_Ac2Mo2As2O2

[ "As", "Eu", "O", "Rh" ]

8

ABCD

AsEuORh

As1 Eu1 O1 Rh1

4

[ 1, 1, 1 ]

3

[ [ 4.263822563, 0, 0 ], [ 0, 4.253319448, 0 ], [ 0, 0, 7.32883198 ] ]

oqmd-7145276

[ [ 0, 3.17187, 2.01182 ], [ 0, 1.0814400000000002, 5.67624 ], [ 2.13191, 1.05231, 0.7643399999999999 ], [ 2.13191, 3.20101, 4.42876 ], [ 2.13191, 1.15324, 3.16753 ], [ 2.13191, 3.1000700000000005, 6.831949999999999 ], [ 0, 1.0041, 3.24665 ], [ 0, 3.24921, 6.91107 ] ]

[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Eu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Eu"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}]

[ "As", "As", "Eu", "Eu", "O", "O", "Rh", "Rh" ]

2024-11-01 00:00:00

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 15.00108787, 0, 0 ], [ 0, 11.41625911, 0 ], [ 0, 0, 15.59701833 ] ]

-48.1671

[ 0.003, 0.003, 0.001, 0.001, 0, 0, 0.005, 0.005 ]

[ [ 0, -0.01899, -0.014888 ], [ 0, 0.01899, -0.014888 ], [ 0, -0.008709, 0.00205 ], [ 0, 0.008709, 0.00205 ], [ 0, 0.013769, 0.011291 ], [ 0, -0.013769, 0.011291 ], [ 0, -0.007104, 0.001548 ], [ 0, 0.007104, 0.001548 ] ]

0.046129

null

pbe

false

ca5c670db6ccee97cb03abc30ca57d7b_26_Eu2As2Rh2O2

[ "Au", "In", "Li", "Y" ]

4

ABCD

AuInLiY

Au1 In1 Li1 Y1

4

[ 1, 1, 1 ]

3

[ [ 0, 3.431644, 3.431644 ], [ 3.431644, 0, 3.431644 ], [ 3.431644, 3.431644, 0 ] ]

oqmd-3089416

[ [ 5.147470000000003, 5.147470000000003, 5.147470000000003 ], [ 3.4316499999999985, 3.4316499999999985, 3.4316499999999985 ], [ 1.7158199999999983, 1.7158199999999983, 1.7158199999999983 ], [ 0, 0, 0 ] ]

[{"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]

[ "Au", "In", "Li", "Y" ]

2024-11-01 00:00:00

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 5.149, 0, 0 ], [ 0, 5.149, 0 ], [ 0, 0, 5.149 ] ]

-16.9403

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.000151

null

pbe

true

636baa4f359cc279a5ff493a2dd93342_216_Li1Y1In1Au1

[ "Co", "Dy", "Gd", "Si" ]

11

A4B4C2D

Co4Dy2GdSi4

Co4 Dy2 Gd1 Si4

4

[ 1, 1, 1 ]

3

[ [ -1.95482074, 1.973219512, 11.686189523 ], [ 1.95482074, -1.973219512, 11.686189523 ], [ 1.95482074, 1.973219512, -11.686189523 ] ]

oqmd-9986023

[ [ -2.720554545324799e-17, -2.1680141803017297e-17, 5.83776 ], [ 9.125089225792222e-17, -6.460529690650813e-17, 17.534619999999997 ], [ 9.986149012559716e-17, 1.9732200000000004, 9.34715 ], [ 1.95482, -1.2242307823281312e-16, 2.33904 ], [ -1.1160812336918509e-17, 1.97322, 3.4413899999999984 ], [ 1.95482, -1.2242307823281312e-16, 8.244800000000001 ], [ 0, 0, 0 ], [ -9.395198018786773e-19, 1.3338665517371839e-17, 10.48901 ], [ -1.0154858708722056e-16, -9.962410422689725e-17, 12.88337 ], [ -1.2218311479943416e-16, 1.9732200000000004, 7.042359999999999 ], [ 1.95482, -1.2242307823281312e-16, 4.64383 ] ]

[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]

[ "Co", "Co", "Co", "Co", "Dy", "Dy", "Gd", "Si", "Si", "Si", "Si" ]

2024-11-01 00:00:00

[ 0.3636363636363637, 0.18181818181818185, 0.09090909090909093, 0.3636363636363637 ]

[ [ 5.87827298, 0, 0 ], [ 0, 4.88497193, 0 ], [ 0, 0, 8.60368912 ] ]

-71.9625

[ 0.002, 0.002, -0.002, -0.002, 0, 0, -0.001, 0, 0, 0, 0 ]

[ [ 0, 0, -0.013676 ], [ 0, 0, 0.013676 ], [ 0, 0, 0.015908 ], [ 0, 0, -0.015908 ], [ 0, 0, -0.019445 ], [ 0, 0, 0.019445 ], [ 0, 0, 0 ], [ 0, 0, -0.007755 ], [ 0, 0, 0.007755 ], [ 0, 0, -0.017256 ], [ 0, 0, 0.017256 ] ]

-0.004917

null

pbe

true

420fa383588d4a01dfb435318a21c940_71_Gd1Dy2Co4Si4

[ "Ir", "O", "P", "Ru" ]

8

ABCD

IrOPRu

Ir1 O1 P1 Ru1

4

[ 1, 1, 1 ]

3

[ [ 2.827503, 0, 0 ], [ 0, 6.950063558, 0 ], [ 0, 0, 5.672991026 ] ]

oqmd-5185306

[ [ 0, 4.758680000000004, 2.4783199999999983 ], [ 0, 2.1913799999999997, 5.314820000000003 ], [ 1.4137499999999998, 6.534560000000001, 2.3364499999999984 ], [ 1.4137499999999998, 0.4155, 5.172950000000002 ], [ 0, 2.5859899999999985, 1.9285900000000016 ], [ 0, 4.364069999999997, 4.76509 ], [ 1.4137499999999998, 5.655619999999997, 0.3705400000000002 ], [ 1.4137499999999998, 1.294439999999998, 3.207039999999998 ] ]

[{"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}]

[ "Ir", "Ir", "O", "O", "P", "P", "Ru", "Ru" ]

2024-11-01 00:00:00

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 15.34054793, 0, 0 ], [ 0, 40.11839601, 0 ], [ 0, 0, 13.26793314 ] ]

-58.9967

[ 0, 0, 0, 0, 0, 0, -0.001, 0 ]

[ [ 0, 0.002644, -0.014881 ], [ 0, -0.002644, -0.014881 ], [ 0, 0.059801, -0.002416 ], [ 0, -0.059801, -0.002416 ], [ 0, 0.008953, -0.017856 ], [ 0, -0.008953, -0.017856 ], [ 0, -0.029952, 0.035153 ], [ 0, 0.029952, 0.035153 ] ]

-0.005989

null

pbe

false

ef5472f19da1546ba73b5511459ea5b5_26_P2Ir2Ru2O2

[ "Pt" ]

2

A

Pt

Pt1

1

[ 1, 1, 1 ]

3

[ [ 3.537796, 0, 0 ], [ -1.768898, 3.063822, 0 ], [ -1.768898, 1.021274, 3.263496 ] ]

oqmd-4117659

[ [ 1.7688999999999986, 1.0212699999999997, 0.8174199999999985 ], [ -1.7689000000000024, 3.0638200000000007, 2.4460700000000015 ] ]

[{"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]

[ "Pt", "Pt" ]

2024-11-01 00:00:00

[ 1 ]

[ [ 43.47369, 0, 0 ], [ 0, 43.47371, 0 ], [ 0, 0, 30.30994 ] ]

-11.1738

[ -0.004, -0.004 ]

[ [ 0, 0, -0.015361 ], [ 0, 0, 0.015361 ] ]

-0.019649

null

pbe

true

18b8a356ef7a52e17f7271c448163e3f_166_Pt2

[ "Ag", "Co", "Rb", "S", "Te" ]

12

A2BCDE

AgCoRbS2Te

Ag1 Co1 Rb1 S2 Te1

5

[ 1, 1, 1 ]

3

[ [ 1.739702644, -8.3029212, 0 ], [ 1.739702644, 8.3029212, 0 ], [ 0, 0, 10.160448887 ] ]

oqmd-4975029

[ [ 1.7397, 1.275609999999998, 2.54011 ], [ 1.7397, -1.275609999999998, 7.620339999999996 ], [ 0, 0, 0 ], [ 0, 0, 5.08022 ], [ 1.7397, -4.145579999999996, 2.54011 ], [ 1.7397, 4.145579999999996, 7.620339999999996 ], [ 1.7397, 1.5267999999999944, 0.15296000000000048 ], [ 1.7397, 1.5267999999999944, 4.92726 ], [ 1.7397, -1.5267999999999944, 5.233189999999995 ], [ 1.7397, -1.5267999999999944, 10.00748 ], [ 1.7397000000000007, 7.277880000000003, 2.54011 ], [ 1.7397000000000007, -7.277880000000003, 7.620339999999996 ] ]

[{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}]

[ "Ag", "Ag", "Co", "Co", "Rb", "Rb", "S", "S", "S", "S", "Te", "Te" ]

2024-11-01 00:00:00

[ 0.16666666666666666, 0.16666666666666666, 0.16666666666666666, 0.3333333333333333, 0.16666666666666666 ]

[ [ 2.97227647, 0, 0 ], [ 0, 5.51208112, 0 ], [ 0, 0, 3.75702829 ] ]

-47.8499

[ 0, 0, -0.001, -0.001, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0.028805, 0 ], [ 0, -0.028805, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.003889, 0 ], [ 0, -0.003889, 0 ], [ 0, -0.027484, 0.005547 ], [ 0, -0.027484, -0.005547 ], [ 0, 0.027484, 0.005547 ], [ 0, 0.027484, -0.005547 ], [ 0, 0.015153, 0 ], [ 0, -0.015153, 0 ] ]

-0.00924

null

pbe

true

ede71bc97f55380cad90e7e6a08c75a0_63_Rb2Co2Ag2Te2S4

[ "Ga", "In", "Mg", "Pr", "Tb" ]

9

A3B2C2DE

Ga2InMg3PrTb2

Ga2 In1 Mg3 Pr1 Tb2

5

[ 1, 1, 1 ]

3

[ [ 4.599480667, 0, 0 ], [ 0, 6.461953564, 3.6911026 ], [ 0, -6.461953564, 3.6911026 ] ]

oqmd-6901816

[ [ 2.29974, 2.1955, 3.68417 ], [ 2.29974, -2.1955, 3.68417 ], [ 0, 1.546365922664797e-18, 0.04045 ], [ 2.29974, 4.844710000000001, 2.7767500000000003 ], [ 2.29974, -1.830009976795509e-17, 1.83059 ], [ 2.29974, -4.84471, 2.7767500000000003 ], [ 0, -1.334905191220012e-16, 4.14984 ], [ 0, 3.6432000000000015, 5.293070000000001 ], [ 0, -3.643200000000001, 5.293070000000001 ] ]

[{"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"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"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}]

[ "Ga", "Ga", "In", "Mg", "Mg", "Mg", "Pr", "Tb", "Tb" ]

2024-11-01 00:00:00

[ 0.2222222222222222, 0.1111111111111111, 0.3333333333333333, 0.1111111111111111, 0.2222222222222222 ]

[ [ 0.372979, 0, 0 ], [ 0, 1.05945898, 0 ], [ 0, 0, 0.55757308 ] ]

-31.6568

[ 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0.014878, -0.008108 ], [ 0, -0.014878, -0.008108 ], [ 0, 0, 0.003784 ], [ 0, 0.029832, -0.002146 ], [ 0, 0, 0.011453 ], [ 0, -0.029832, -0.002146 ], [ 0, 0, 0.010191 ], [ 0, -0.016647, -0.00246 ], [ 0, 0.016647, -0.00246 ] ]

-0.001215

null

pbe

true

14770921c7712a14ff2d716b4fed38ec_38_Tb2Pr1Mg3In1Ga2

[ "As", "K", "Pt" ]

3

ABC

AsKPt

As1 K1 Pt1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.417281, 3.417281 ], [ 3.417281, 0, 3.417281 ], [ 3.417281, 3.417281, 0 ] ]

oqmd-3480593

[ [ 1.7086399999999975, 1.7086399999999975, 1.7086399999999975 ], [ 0, 0, 0 ], [ 5.125919999999999, 5.125919999999999, 5.125919999999999 ] ]

[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]

[ "As", "K", "Pt" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 2.54451, 0, 0 ], [ 0, 2.54451, 0 ], [ 0, 0, 2.54451 ] ]

-8.67535

[ 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.014057

null

pbe

true

88d734fa802f12b675215b85898b58d8_216_K1As1Pt1

[ "B", "Co", "Si" ]

3

ABC

BCoSi

B1 Co1 Si1

3

[ 1, 1, 1 ]

3

[ [ 0, 2.519743835, 2.519743835 ], [ 2.519743835, 0, 2.519743835 ], [ 2.519743835, 2.519743835, 0 ] ]

oqmd-7332913

[ [ 2.51974, 2.51974, 2.51974 ], [ 1.25987, 1.25987, 1.25987 ], [ 0, 0, 0 ] ]

[{"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]

[ "B", "Co", "Si" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ -7.91701, 0, 0 ], [ 0, -7.91701, 0 ], [ 0, 0, -7.91701 ] ]

-18.9302

[ 0, 0.001, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.001996

null

pbe

true

97f9e0993537cf0e1051dd5ad6967350_216_Co1Si1B1

[ "Ge", "In", "V" ]

4

A2BC

Ge2InV

Ge2 In1 V1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.398213002, 3.398213002 ], [ 3.398213002, 0, 3.398213002 ], [ 3.398213002, 3.398213002, 0 ] ]

oqmd-7181758

[ [ 1.69911, 1.69911, 1.69911 ], [ 3.3982100000000006, 3.3982100000000006, 3.3982100000000006 ], [ 5.09732, 5.09732, 5.09732 ], [ 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": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]

[ "Ge", "Ge", "In", "V" ]

2024-11-01 00:00:00

[ 0.5, 0.25, 0.25 ]

[ [ 3.75324302, 0, 0 ], [ 0, 3.75324302, 0 ], [ 0, 0, 3.75324302 ] ]

-19.1735

[ -0.001, -0.001, 0.046, 2.938 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

3.41445

null

pbe

false

9853e57399c0cbf9100c57ed5a843f01_216_V1In1Ge2

[ "Ag", "Gd", "S", "Sn", "Te" ]

12

A2BCDE

AgGdSSnTe2

Ag1 Gd1 S1 Sn1 Te2

5

[ 1, 1, 1 ]

3

[ [ 2.172603649, -7.241366824, 0 ], [ 2.172603649, 7.241366824, 0 ], [ 0, 0, 10.387151311 ] ]

oqmd-5027890

[ [ 2.1726, 0.23263000000000408, 2.5967899999999964 ], [ 2.1726, -0.23263000000000383, 7.790360000000004 ], [ 0, 0, 0 ], [ 0, 0, 5.193580000000003 ], [ 2.172599999999999, 6.0509099999999965, 2.5967899999999964 ], [ 2.172599999999999, -6.050909999999997, 7.790360000000004 ], [ 2.1726, -3.272319999999999, 2.5967899999999964 ], [ 2.1726, 3.272319999999999, 7.790360000000004 ], [ 2.1726, 2.184949999999999, 0.5960300000000004 ], [ 2.1726, 2.184949999999999, 4.597550000000003 ], [ 2.1726, -2.184949999999999, 5.789610000000003 ], [ 2.1726, -2.184949999999999, 9.79112 ] ]

[{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}]

[ "Ag", "Ag", "Gd", "Gd", "S", "S", "Sn", "Sn", "Te", "Te", "Te", "Te" ]

2024-11-01 00:00:00

[ 0.16666666666666666, 0.16666666666666666, 0.16666666666666666, 0.16666666666666666, 0.3333333333333333 ]

[ [ 2.69454617, 0, 0 ], [ 0, 2.25325169, 0 ], [ 0, 0, 2.02416494 ] ]

-52.883

[ 0, 0, -0.001, -0.001, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0.024556, 0 ], [ 0, -0.024556, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.007428, 0 ], [ 0, -0.007428, 0 ], [ 0, 0.006885, 0 ], [ 0, -0.006885, 0 ], [ 0, 0.012295, 0.000395 ], [ 0, 0.012295, -0.000395 ], [ 0, -0.012295, 0.000395 ], [ 0, -0.012295, -0.000395 ] ]

-0.017856

null

pbe

true

c85121c041a1b859b9fe8a237d172453_63_Gd2Ag2Sn2Te4S2

[ "Cu", "Ga", "W" ]

4

A2BC

CuGaW2

Cu1 Ga1 W2

3

[ 1, 1, 1 ]

3

[ [ 0, 3.109791, 3.109791 ], [ 3.109791, 0, 3.109791 ], [ 3.109791, 3.109791, 0 ] ]

oqmd-2336637

[ [ 1.554890000000003, 1.55489, 1.55489 ], [ 3.109790000000001, 3.109790000000001, 3.109790000000001 ], [ 0, 0, 0 ], [ 4.664679999999998, 4.664679999999998, 4.664679999999998 ] ]

[{"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]

[ "Cu", "Ga", "W", "W" ]

2024-11-01 00:00:00

[ 0.25, 0.25, 0.5 ]

[ [ 16.31867, 0, 0 ], [ 0, 16.31867, 0 ], [ 0, 0, 16.31867 ] ]

-31.2329

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.000102

null

pbe

true

09890755a5be9d437c259ee86ff63277_216_Ga1Cu1W2

[ "Al", "Be", "Ir", "Pm" ]

6

A2B2CD

Al2BeIr2Pm

Pm1 Be1 Al2 Ir2

4

[ 1, 1, 1 ]

3

[ [ 4.26155874, 0, 0 ], [ 0, 4.26155874, 0 ], [ 0, 0, 5.64571453 ] ]

agm004750127

[ [ 0, 0, 2.822857265 ], [ 0, 0, 0 ], [ 2.13077937, 2.13077937, 4.165652300930278 ], [ 2.13077937, 2.13077937, 1.4800622290697227 ], [ 2.13077937, 0, 0 ], [ 0, 2.13077937, 0 ] ]

[{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}]

[ "Pm", "Be", "Al", "Al", "Ir", "Ir" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.16666666666666666, 0.3333333333333333, 0.16666666666666666 ]

[ [ 0.03624162, 0, 0 ], [ 0, 0.03624162, 0 ], [ 0, 0, -0.36096278 ] ]

-37.784449

[ 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00351489 ], [ 0, 0, -0.00351489 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.000001

2.419341

pbe

true

df31f18cc2c3be29c4c1c80ab75047cc_123_Pm1Be1Al2Ir2

[ "As", "Co", "Hf", "O" ]

12

A8B2CD

As2CoHfO8

Hf1 Co1 As2 O8

4

[ 1, 1, 1 ]

3

[ [ 5.54112629, 0, 0 ], [ -2.77056315, 4.79875613, 0 ], [ 0, 0, 5.948576 ] ]

agm004916475

[ [ 0, 0, 0 ], [ 0, 0, 2.974288 ], [ 2.7705631710389653, 1.5995853606708128, 1.96260130664192 ], [ -3.103896482995316e-8, 3.199170769329187, 3.98597469335808 ], [ 4.187123681951746, 0.7817337373354033, 1.3493601084 ], [ 2.7705631693346655, 3.2352885113665097, 1.3493601084 ], [ 1.354002661830482, 0.7817337373354033, 1.3493601084 ], [ 1.4165604781695178, 4.017022392664597, 4.5992158916 ], [ -3.103896482995316e-8, 3.199170769329187, 2.3395104582361603 ], [ 2.7705631710389653, 1.5995853606708128, 3.6090655417638398 ], [ -1.4165605419517469, 4.017022392664597, 4.5992158916 ], [ -2.933466572780302e-8, 1.5634676186334904, 4.5992158916 ] ]

[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]

[ "Hf", "Co", "As", "As", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.16666666666666666, 0.08333333333333333, 0.08333333333333333, 0.6666666666666666 ]

[ [ 0.87828785, 0, 0 ], [ 0, 0.87828785, 0 ], [ 0, 0, 0.56217754 ] ]

-82.644381

[ -0.003, 2.715, 0.002, 0.002, 0.034, 0.034, 0.034, 0.034, 0.011, 0.011, 0.034, 0.034 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.000196 ], [ 0, 0, 0.000196 ], [ -0.00012396, 0.00007157, -0.00096578 ], [ 0, -0.00014314, -0.00096578 ], [ 0.00012396, 0.00007157, -0.00096578 ], [ -0.00012396, -0.00007157, 0.00096578 ], [ 0, 0, 0.00356618 ], [ 0, 0, -0.00356618 ], [ 0.00012396, -0.00007157, 0.00096578 ], [ 0, 0.00014314, 0.00096578 ] ]

3.000452

6.831516

pbe

true

534b2c0f0ff98ddd02ab9ac20cf9c894_164_Hf1Co1As2O8

[ "B", "Cu", "Rb", "Y" ]

5

A2BCD

BCu2RbY

Rb1 Y1 Cu2 B1

4

[ 1, 1, 1 ]

3

[ [ 5.06393678, 0, 0 ], [ 0, 5.06393678, 0 ], [ 0, 0, 4.88709462 ] ]

agm001426377

[ [ 2.53196839, 2.53196839, 2.44354731 ], [ 0, 0, 2.44354731 ], [ 0, 2.53196839, 0 ], [ 2.53196839, 0, 0 ], [ 0, 0, 0 ] ]

[{"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]

[ "Y", "B", "Cu", "Cu", "Rb" ]

2023-11-16 06:57:59

[ 0.2, 0.4, 0.2, 0.2 ]

[ [ -2.5387683, 0, 0 ], [ 0, -2.5387683, 0 ], [ 0, 0, -2.6871033 ] ]

-13.26732

[ 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0

4.046135

pbe

true

0ad90bc642fc4205dbad2242a4ba25df_123_Rb1Y1Cu2B1

[ "Br", "Eu", "Ni" ]

6

ABC

BrEuNi

Eu2 Ni2 Br2

3

[ 1, 1, 1 ]

3

[ [ 4.11422094, 0, 0 ], [ -2.05711047, 3.56301985, 0 ], [ 0, 0, 11.39820516 ] ]

agm002348575

[ [ 0, 0, 2.016380904755389 ], [ 0, 0, 9.381824255244611 ], [ 2.057110490571105, 1.1876732714566005, 0.017358326638164 ], [ -2.057110488818095e-8, 2.3753465785433994, 11.380846833361836 ], [ -2.057110488818095e-8, 2.3753465785433994, 3.8368861614413134 ], [ 2.057110490571105, 1.1876732714566005, 7.561318998558686 ] ]

[{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Eu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Eu"]}]

[ "Eu", "Eu", "Ni", "Ni", "Br", "Br" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ -1.9646915, 0, 0 ], [ 0, -1.9646915, 0 ], [ 0, 0, -2.112049 ] ]

-41.422549

[ 6.771, 6.771, -0.25, -0.25, -0.027, -0.027 ]

[ [ 0, 0, 0.00547575 ], [ 0, 0, -0.00547575 ], [ 0, 0, 0.00753567 ], [ 0, 0, -0.00753567 ], [ 0, 0, -0.00026426 ], [ 0, 0, 0.00026426 ] ]

13.517083

26.700153

pbe

true

2f99db318a0a7b615e7de7f5d35528a8_164_Eu2Ni2Br2

[ "Cl", "Nb", "Y" ]

5

A3BC

ClNb3Y

Y1 Nb3 Cl1

3

[ 1, 1, 1 ]

3

[ [ 5.08105564, 0, 0 ], [ 0, 5.08105564, 0 ], [ 0, 0, 5.08105564 ] ]

agm002451211

[ [ 0, 0, 0 ], [ 0, 2.54052782, 0 ], [ 0, 0, 2.54052782 ], [ 2.54052782, 0, 0 ], [ 2.54052782, 2.54052782, 2.54052782 ] ]

[{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]

[ "Y", "Nb", "Nb", "Nb", "Cl" ]

2023-11-16 06:57:59

[ 0.2, 0.6, 0.2 ]

[ [ 0.60017264, 0, 0 ], [ 0, 0.60017264, 0 ], [ 0, 0, 0.60017264 ] ]

-27.504869

[ 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.000001

6.768535

pbe

true

f9f04a673519912e18a42f280b0eaeb6_221_Y1Nb3Cl1

[ "La", "Mo", "Sr" ]

4

A2BC

La2MoSr

Sr1 La2 Mo1

3

[ 1, 1, 1 ]

3

[ [ 3.679196, 0, 0 ], [ 0, 3.67735813, 0 ], [ 0, 0, 9.89672243 ] ]

agm004067938

[ [ 0, 0, 0.7456293604675273 ], [ 0, 0, 4.202731854532472 ], [ 1.839598, 1.838679065, 2.4741806075 ], [ 1.839598, 1.838679065, 7.4225418225 ] ]

[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]

[ "La", "La", "Mo", "Sr" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 2.5537663, 0, 0 ], [ 0, 2.863578, 0 ], [ 0, 0, 2.956458 ] ]

-21.049494

[ 0, 0, 0.002, 0 ]

[ [ 0, 0, 0.00609112 ], [ 0, 0, -0.00609112 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.001055

4.969741

pbe

true

d4bec55db59fa464a2b056f421e02773_123_Sr1La2Mo1

[ "Ag", "Ga", "Li" ]

20

A6B3C

Ag3GaLi6

Li12 Ga2 Ag6

3

[ 1, 1, 1 ]

3

[ [ 5.04514322, 0, 0 ], [ 0, 8.78382428, -1.45349552 ], [ 0, -3.37695605, 8.23798434 ] ]

agm003572513

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[ "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Ga", "Ga", "Ag", "Ag", "Ag", "Ag", "Ag", "Ag" ]

2023-11-16 06:57:59

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0

7.189342

pbe

true

1629fb0d52fa2c2dc9dd661c4b6bcfd2_36_Li12Ga2Ag6

[ "Ba", "Mg", "Zn" ]

9

A6B2C

BaMg6Zn2

Ba1 Mg6 Zn2

3

[ 1, 1, 1 ]

3

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agm003484031

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[ "Ba", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Zn", "Zn" ]

2023-11-16 06:57:59

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0

4.055001

pbe

true

b1735f7082bcbd8a3cbc80c16297a960_123_Ba1Mg6Zn2

[ "Eu", "Mg", "Pm", "Pr" ]

4

ABCD

EuMgPmPr

Pr1 Pm1 Eu1 Mg1

4

[ 1, 1, 1 ]

3

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agm001401637

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[ "Eu", "Pr", "Mg", "Pm" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

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[ 6.852, 0.029, -0.008, 0.031 ]

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7.160406

3.987052

pbe

true

6ff486ba154ded64e80d03090c699c42_216_Pr1Pm1Eu1Mg1

[ "Ge", "H", "Ho", "Sm" ]

11

A4B3C2D2

Ge3H2Ho4Sm2

Sm2 Ho4 Ge3 H2

4

[ 1, 1, 1 ]

3

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agm004489149

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[ "Sm", "Sm", "Ho", "Ho", "Ho", "Ho", "Ge", "Ge", "Ge", "H", "H" ]

2023-11-16 06:57:59

[ 0.2727272727272727, 0.18181818181818182, 0.36363636363636365, 0.18181818181818182 ]

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0.00004

10.37912

pbe

true

287dde6485fdabd4267ea13b5aeda131_139_Sm2Ho4Ge3H2

[ "P", "Pt", "Sm", "Zn" ]

12

A7B2C2D

P2Pt7SmZn2

Sm1 Zn2 P2 Pt7

4

[ 1, 1, 1 ]

3

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agm004591622

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[ "Sm", "Zn", "Zn", "P", "P", "Pt", "Pt", "Pt", "Pt", "Pt", "Pt", "Pt" ]

2023-11-16 06:57:59

[ 0.16666666666666666, 0.5833333333333334, 0.08333333333333333, 0.16666666666666666 ]

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3.577808

pbe

true

39e883eda88ceae29f6a5dbdb7f474ba_12_Sm1Zn2P2Pt7

[ "Cl", "H", "Ir", "K", "O" ]

44

A5B2C2DE

Cl5H2IrK2O

Cl5 H2 Ir1 K2 O1

5

[ 1, 1, 1 ]

3

[ [ 13.710089328, 0, 0 ], [ 0, 9.243282856, 0 ], [ 0, 0, 7.446460363 ] ]

oqmd-9794672

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[{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]

[ "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "H", "H", "H", "H", "H", "H", "H", "H", "Ir", "Ir", "Ir", "Ir", "K", "K", "K", "K", "K", "K", "K", "K", "O", "O", "O", "O" ]

2024-11-01 00:00:00

[ 0.4545454545454546, 0.18181818181818185, 0.09090909090909093, 0.18181818181818185, 0.09090909090909093 ]

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-180.08

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0.02953

null

pbe

true

1aec8f952587f4e564046b57ceb63857_62_K8H8Ir4Cl20O4

[ "Mg", "Ni", "Sb" ]

8

A2BC

MgNi2Sb

Mg2 Ni4 Sb2

3

[ 1, 1, 1 ]

3

[ [ 4.08185783, 0, 0 ], [ 0, 4.08185783, 0 ], [ 2.04092891, 2.04092891, 8.55199078 ] ]

agm002850412

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[{"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}]

[ "Sb", "Sb", "Mg", "Mg", "Ni", "Ni", "Ni", "Ni" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

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-33.209518

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0

8.232353

pbe

true

aa27ecb52ff585ed96c710cdf611a1ec_122_Mg2Ni4Sb2

[ "In", "Pb" ]

10

A7B3

In7Pb3

In7 Pb3

2

[ 1, 1, 1 ]

3

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agm005535825

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[{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}]

[ "In", "In", "In", "In", "In", "In", "In", "Pb", "Pb", "Pb" ]

2023-11-16 06:57:59

[ 0.7, 0.3 ]

[ [ 4.7848845, 0.01240178, 0.00401402 ], [ 0.0124018, 4.759652, 0.04043062 ], [ 0.00401402, 0.04043057, 4.7967424 ] ]

-30.17201

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0

2.899101

pbe

true

94e26278d8f11ffdf72ea065b3cea7ad_12_In7Pb3

[ "Na", "Pr", "Th" ]

6

ABC

NaPrTh

Na2 Pr2 Th2

3

[ 1, 1, 1 ]

3

[ [ 6.72088799, 0, 0 ], [ 3.36044399, 5.6823578, 0 ], [ 3.36044399, 0, 5.58583223 ] ]

agm001051824

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[{"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}]

[ "Th", "Th", "Na", "Na", "Pr", "Pr" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 0.21471561, 0, 0 ], [ 0, 0.3071865, 0 ], [ 0, 0, 0.20994896 ] ]

-24.080871

[ 0, 0, 0, 0, 0, 0 ]

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0.000202

7.649506

pbe

true

6628c3ae2aee6b3cc9970be273380484_69_Na2Pr2Th2

[ "Ir", "Pb" ]

3

A2B

Ir2Pb

Ir2 Pb1

2

[ 1, 1, 1 ]

3

[ [ 6.20967065, 0.009099, 0 ], [ 4.60182027, 4.16933359, 0 ], [ -5.40574344, -2.08921551, 2.23006917 ] ]

agm004441536

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[{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}]

[ "Ir", "Ir", "Pb" ]

2023-11-16 06:57:59

[ 0.6666666666666666, 0.3333333333333333 ]

[ [ 7.100333, -0.10432775, 0.00000666 ], [ -0.10432775, 7.3299556, 0.00000257 ], [ 0.00000666, 0.00000257, 7.370313 ] ]

-19.632973

[ 0, 0, 0 ]

[ [ 0.00997368, 0.00385463, 0 ], [ -0.00997368, -0.00385463, 0 ], [ 0, 0, 0 ] ]

-0.000189

4.087495

pbe

true

3832479f423c2d3ef18d3122431b2e5f_139_Ir2Pb1

[ "Cu", "Ge", "Sc" ]

6

ABC

CuGeSc

Sc2 Cu2 Ge2

3

[ 1, 1, 1 ]

3

[ [ 6.6987274, -0.00217472, -0.00080925 ], [ -0.00075341, 4.25163114, -0.00124881 ], [ -0.00068085, 2.12536994, 3.68278523 ] ]

agm003141555

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[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}]

[ "Sc", "Sc", "Ge", "Ge", "Cu", "Cu" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ -2.7279954, 0.02164997, 0.04869731 ], [ 0.02165037, -2.1589797, 0.06564316 ], [ 0.04869755, 0.06564433, -2.143039 ] ]

-32.661475

[ 0, 0, 0, 0, 0, 0 ]

[ [ -0.0025025, 0.00077056, -0.00089199 ], [ 0.00091304, -0.00028718, 0.00002578 ], [ 0.003475, -0.0003884, 0.00057466 ], [ 0.0017854, -0.00135056, 0.00297127 ], [ -0.00369348, 0.01658873, 0.00419883 ], [ 0.00002254, -0.01533315, -0.00687855 ] ]

0.000017

2.210262

pbe

true

f1216e7a84e7a13fdb1539c7c66ba0ad_156_Sc2Cu2Ge2

[ "As", "Mg", "N", "O" ]

26

A10BCD

AsMgNO10

Mg2 As2 N2 O20

4

[ 1, 1, 1 ]

3

[ [ 6.00546687, 0, 0 ], [ 0, 5.31795151, 0 ], [ 0, 0, 13.23864827 ] ]

agm005263558

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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]

[ "Mg", "Mg", "As", "As", "N", "N", "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

[ 0.07692307692307693, 0.07692307692307693, 0.07692307692307693, 0.7692307692307693 ]

[ [ 5.421149, 0, 0 ], [ 0, 1.9514393, 0 ], [ 0, 0, 7.411693 ] ]

-140.105562

[ 0.004, 0.004, 0, 0, 0.003, 0.003, 0.008, 0.008, 0.008, 0.008, 0.003, 0.003, 0.015, 0.015, 0.018, 0.018, 0.018, 0.018, 0.007, 0.007, 0.007, 0.007, 0.854, 0.854, 0.651, 0.651 ]

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3.93483

8.091841

pbe

true

6efff8911cb0a28654b8a799be35fafe_31_Mg2As2N2O20

[ "Cr", "Ga", "U" ]

3

ABC

CrGaU

U1 Cr1 Ga1

3

[ 1, 1, 1 ]

3

[ [ 2.96359153, 0, 0 ], [ 0, 2.96359153, 0 ], [ -1.48179576, -1.48179576, 5.7881881 ] ]

agm001836669

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[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]

[ "Cr", "U", "Ga" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 4.9236455, 0, 0 ], [ 0, 4.9236455, 0 ], [ 0, 0, 4.2804585 ] ]

-23.742024

[ 2.002, -1.19, -0.003 ]

[ [ 0, 0, 0.00349304 ], [ 0, 0, -0.00493386 ], [ 0, 0, 0.00144082 ] ]

0.877815

3.466258

pbe

true

70d897019bb0f276319c57f61ff376da_107_U1Cr1Ga1

[ "Ac", "Na", "Nd" ]

3

ABC

AcNaNd

Na1 Ac1 Nd1

3

[ 1, 1, 1 ]

3

[ [ 3.76939707, 0, 0 ], [ 0, 3.76939707, 0 ], [ -1.88469853, -1.88469853, 8.37826202 ] ]

agm001839164

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[{"mass": null, "name": "Ac", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ac"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}]

[ "Na", "Ac", "Nd" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 0.30577227, 0, 0 ], [ 0, 0.30577227, 0 ], [ 0, 0, 0.18419057 ] ]

-9.812179

[ 0, 0, 0 ]

[ [ 0, 0, 0.00361526 ], [ 0, 0, 0.00067727 ], [ 0, 0, -0.00429253 ] ]

0

3.392899

pbe

true

29970b7b7dd9bb3f8efe9713b0d0e363_107_Na1Ac1Nd1

[ "Hf", "Ru", "Zr" ]

10

A5B4C

HfRu4Zr5

Hf1 Zr5 Ru4

3

[ 1, 1, 1 ]

3

[ [ 3.27283672, 0, 0 ], [ 0, 3.2728377, 0 ], [ 0, 0, 17.33707644 ] ]

agm006113302

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[{"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": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}]

[ "Hf", "Zr", "Zr", "Zr", "Zr", "Zr", "Ru", "Ru", "Ru", "Ru" ]

2023-11-16 06:57:59

[ 0.1, 0.4, 0.5 ]

[ [ 6.5126257, 0, 0 ], [ 0, 6.5126295, 0 ], [ 0, 0, 6.4044247 ] ]

-94.85854

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0.0012797 ], [ 0, 0, 0.00391241 ], [ 0, 0, 0 ], [ 0, 0, -0.00391241 ], [ 0, 0, -0.0012797 ], [ 0, 0, -0.00664163 ], [ 0, 0, -0.00469185 ], [ 0, 0, 0.00469185 ], [ 0, 0, 0.00664163 ] ]

0.000002

5.125082

pbe

true

197d90a7868d71a3b477db91f4b2967e_123_Hf1Zr5Ru4

[ "In", "O", "Sr" ]

12

A3B2C

InO3Sr2

Sr4 In2 O6

3

[ 1, 1, 1 ]

3

[ [ 6.33027618, 0, 0 ], [ 0, 6.12211779, -0.20150298 ], [ 0, -2.74090103, 5.47799154 ] ]

agm003416095

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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]

[ "Sr", "Sr", "Sr", "Sr", "In", "In", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.16666666666666666, 0.5, 0.3333333333333333 ]

[ [ 0.5415505, 0, 0 ], [ 0, 0.59987724, -0.12427499 ], [ 0, -0.12427499, 0.4855789 ] ]

-66.567243

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0

4.147738

pbe

true

d6698c3b994f4cae1e8efe085e9cfd19_36_Sr4In2O6

[ "Nb", "Pd", "Y" ]

5

A3BC

NbPdY3

Y3 Nb1 Pd1

3

[ 1, 1, 1 ]

3

[ [ 5.31427874, 0, 0 ], [ 0, 5.31427874, 0 ], [ 0, 0, 5.31427874 ] ]

agm002623200

[ [ 0, 2.65713937, 0 ], [ 0, 0, 2.65713937 ], [ 2.65713937, 0, 0 ], [ 0, 0, 0 ], [ 2.65713937, 2.65713937, 2.65713937 ] ]

[{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"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", "Y", "Y", "Nb", "Pd" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.6 ]

[ [ 1.8531197, 0, 0 ], [ 0, 1.8531197, 0 ], [ 0, 0, 1.8531197 ] ]

-31.735292

[ 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0

3.522448

pbe

true

466abbaf5e9909d5d60ab231540016b8_221_Y3Nb1Pd1

[ "Cd", "Nd", "Tm" ]

4

A2BC

CdNdTm2

Nd1 Tm2 Cd1

3

[ 1, 1, 1 ]

3

[ [ 5.44220684, 0, 0 ], [ 2.72110342, 4.71308938, 0 ], [ 2.72110342, 1.57102979, 4.44354328 ] ]

agm001088632

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[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}]

[ "Tm", "Tm", "Nd", "Cd" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 1.575417, 0, 0 ], [ 0, 1.575417, 0 ], [ 0, 0, 1.575417 ] ]

-14.473095

[ 0.195, 0.195, 0.24, -0.003 ]

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0.853223

6.245585

pbe

true

17e0b735264cb073fd91161e7efccd07_225_Nd1Tm2Cd1

[ "Cl", "Pt", "Te" ]

5

A3BC

ClPtTe3

Te3 Pt1 Cl1

3

[ 1, 1, 1 ]

3

[ [ 5.25591124, 0, 0 ], [ 0, 5.25591124, 0 ], [ 0, 0, 5.25591124 ] ]

agm002450700

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[{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]

[ "Te", "Te", "Te", "Pt", "Cl" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.6 ]

[ [ 2.5315611, 0, 0 ], [ 0, 2.5315611, 0 ], [ 0, 0, 2.5315611 ] ]

-11.154299

[ 0, 0, 0, 0, 0 ]

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0

7.906277

pbe

true

efd4b9688e6f0ad0359b23be568d8322_221_Te3Pt1Cl1

[ "Al", "Sc", "Tb" ]

4

A2BC

Al2ScTb

Tb1 Sc1 Al2

3

[ 1, 1, 1 ]

3

[ [ 3.41862256, 0, 0 ], [ 1.70931128, 2.96061398, 0 ], [ 1.70931128, 0.98687133, 9.19122478 ] ]

agm001962261

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[{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}]

[ "Sc", "Tb", "Al", "Al" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 1.6645473, 0, 0 ], [ 0, 1.6645473, 0 ], [ 0, 0, 1.4632558 ] ]

-19.102944

[ 0, 0, 0, 0 ]

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0

2.113075

pbe

true

ca7c66fb94929e962f753261e845fa47_166_Tb1Sc1Al2

[ "As", "Cu", "Pd" ]

10

A7B2C

As2CuPd7

Cu1 As2 Pd7

3

[ 1, 1, 1 ]

3

[ [ 3.94903631, 0, -0.75986412 ], [ -0.14621181, 3.9463285, -0.75986412 ], [ -0.04311432, -0.04474136, 10.41748902 ] ]

agm005870144

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[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}]

[ "Cu", "As", "As", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd" ]

2023-11-16 06:57:59

[ 0.2, 0.1, 0.7 ]

[ [ -1.5154803, -0.00588195, -0.02945799 ], [ -0.00588195, -1.5159161, -0.03056961 ], [ -0.02945799, -0.03056961, -1.6629052 ] ]

-52.407236

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0.00034437, 0.00035736, 0.0017897 ], [ -0.00034437, -0.00035736, -0.0017897 ], [ -0.00050411, -0.00052313, -0.00261986 ], [ 0.00050411, 0.00052313, 0.00261986 ], [ -0.00050411, -0.00052313, -0.00261986 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00050411, 0.00052313, 0.00261986 ], [ 0, 0, 0 ] ]

0

5.28924

pbe

true

5041459f21b77b95d66bf49d0193d782_139_Cu1As2Pd7

[ "As", "Y", "Zr" ]

4

A2BC

As2YZr

Y1 Zr1 As2

3

[ 1, 1, 1 ]

3

[ [ 6.92951841, -0.00804819, -0.01785837 ], [ -3.04540926, 4.07763416, 0.00306824 ], [ 0.83869745, 1.3709781, 3.04210822 ] ]

agm004221041

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[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]

[ "Y", "As", "As", "Zr" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 1.7741055, 0.05986734, 0.13284022 ], [ 0.05986733, 1.7951359, 0.13732588 ], [ 0.1328402, 0.13732588, 2.0379648 ] ]

-27.958663

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.000002

2.717128

pbe

true

777999282fde872c34ce58fb0e4fc242_12_Y1Zr1As2

[ "Bi", "P", "Se", "Tc" ]

5

A2BCD

BiP2SeTc

Tc1 Bi1 P2 Se1

4

[ 1, 1, 1 ]

3

[ [ 4.51342072, 0, 0 ], [ 0, 5.5003012, 0 ], [ 0, 0, 4.51342072 ] ]

agm001536544

[ [ 0, 0, 2.25671036 ], [ 2.25671036, 0, 0 ], [ 2.25671036, 2.7501506, 2.25671036 ], [ 0, 2.7501506, 0 ], [ 0, 0, 0 ] ]

[{"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]

[ "P", "P", "Bi", "Se", "Tc" ]

2023-11-16 06:57:59

[ 0.2, 0.4, 0.2, 0.2 ]

[ [ 1.2998389, 0, 0 ], [ 0, 1.6062826, 0 ], [ 0, 0, 1.2998389 ] ]

-27.034647

[ 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0

3.29896

pbe

true

e78bd8c3adfd70eab9b471a6defddcee_123_Tc1Bi1P2Se1

[ "Dy", "La", "Pr", "Tm" ]

20

A6B2CD

DyLa2Pr6Tm

La4 Pr12 Dy2 Tm2

4

[ 1, 1, 1 ]

3

[ [ 9.64637048, -2.19386841, -2.27674014 ], [ 0.63400004, 8.71403111, -2.02554112 ], [ 0.63400004, -2.34710281, 8.63297536 ] ]

agm004981836

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[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}]

[ "La", "La", "La", "La", "Pr", "Pr", "Pr", "Pr", "Pr", "Pr", "Pr", "Pr", "Pr", "Pr", "Pr", "Pr", "Dy", "Dy", "Tm", "Tm" ]

2023-11-16 06:57:59

[ 0.1, 0.2, 0.6, 0.1 ]

[ [ 0.8111906, -0.00008472, -0.00008792 ], [ -0.0000847, 0.8557407, 0.01807966 ], [ -0.0000879, 0.01807966, 0.8570818 ] ]

-93.004284

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0.000002

31.034372

pbe

true

f0e2fb7e7d71633b4854939c7ba0c70f_15_La4Pr12Dy2Tm2

[ "F", "H", "N", "Sn" ]

20

A6B2CD

FH6N2Sn

Sn2 H12 N4 F2

4

[ 1, 1, 1 ]

3

[ [ 5.78626403, 0.44280423, 0.13314228 ], [ -0.26893002, 5.79694779, 0.13314228 ], [ -1.42101059, -1.60707212, 5.91823971 ] ]

agm004946035

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[{"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": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]

[ "Sn", "Sn", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "N", "N", "N", "N", "F", "F" ]

2023-11-16 06:57:59

[ 0.1, 0.6, 0.2, 0.1 ]

[ [ 1.2113339, -0.34631032, -0.05098864 ], [ -0.34631032, 1.1258947, -0.05766489 ], [ -0.05098861, -0.05766486, 0.7841898 ] ]

-96.756998

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0

1.403814

pbe

true

735af693916c48c3cb04af30af88e4f4_15_Sn2H12N4F2

[ "Bi", "Cu", "O", "S", "Ta" ]

11

A4B2C2D2E

Bi2Cu2O4S2Ta

Ta1 Cu2 Bi2 S2 O4

5

[ 1, 1, 1 ]

3

[ [ 3.73008232, -0.00005863, -0.00010212 ], [ -0.0000587, 3.73008107, -0.00010286 ], [ -1.86530776, -1.86532431, 11.46303977 ] ]

agm002303179

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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}]

[ "O", "O", "O", "O", "S", "S", "Bi", "Bi", "Cu", "Cu", "Ta" ]

2023-11-16 06:57:59

[ 0.18181818181818182, 0.18181818181818182, 0.36363636363636365, 0.18181818181818182, 0.09090909090909091 ]

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-68.050496

[ -0.014, -0.014, -0.014, -0.014, 0.001, 0.001, 0.037, 0.037, 0.002, 0.002, 0.729 ]

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0.976918

3.570049

pbe

true

495687de39a156b4436bb4a23b9a925c_139_Ta1Cu2Bi2S2O4

[ "Nd", "Pm", "Y" ]

14

A4B2C

Nd4PmY2

Pm2 Nd8 Y4

3

[ 1, 1, 1 ]

3

[ [ 6.92947366, 0, 0 ], [ 3.46473683, 8.34601789, -1.12812836 ], [ 3.46473683, 1.65011974, 8.25867986 ] ]

agm003440574

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[{"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"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]

[ "Pm", "Pm", "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Y", "Y", "Y", "Y" ]

2023-11-16 06:57:59

[ 0.5714285714285714, 0.14285714285714285, 0.2857142857142857 ]

[ [ 1.1604127, 0, 0 ], [ 0, 1.1591263, -0.12048137 ], [ 0, -0.12048137, 1.242083 ] ]

-70.084023

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0.000056

22.491327

pbe

true

149a3f07e8d5314b344704970591788f_74_Pm2Nd8Y4

[ "As", "Li", "Sm", "Th" ]

12

A6B3C2D

As6LiSm3Th2

Li1 Sm3 Th2 As6

4

[ 1, 1, 1 ]

3

[ [ 4.23249231, 0, 0 ], [ 0, 8.46750935, 0.24762969 ], [ -2.11624615, -2.50049541, 8.87156807 ] ]

agm004618225

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[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}]

[ "Li", "Sm", "Sm", "Sm", "Th", "Th", "As", "As", "As", "As", "As", "As" ]

2023-11-16 06:57:59

[ 0.5, 0.08333333333333333, 0.25, 0.16666666666666666 ]

[ [ 0.21207651, 0, 0 ], [ 0, 0.23206306, 0.01075663 ], [ 0, 0.01075663, 0.22227608 ] ]

-74.140538

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

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0

3.432799

pbe

true

b15f3ba85fb3a99f6d1568bcf7edfa7f_12_Li1Sm3Th2As6

[ "Bi", "Ca", "La", "Th" ]

8

A4B2CD

Bi4CaLaTh2

Ca1 La1 Th2 Bi4

4

[ 1, 1, 1 ]

3

[ [ 4.63218615, 0, 0 ], [ 0, 8.00372753, 0.13305811 ], [ 0, -2.80390231, 7.54152939 ] ]

agm004848975

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[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}]

[ "Ca", "La", "Th", "Th", "Bi", "Bi", "Bi", "Bi" ]

2023-11-16 06:57:59

[ 0.5, 0.125, 0.125, 0.25 ]

[ [ 0.26008245, 0, 0 ], [ 0, 0.2406617, 0.00743273 ], [ 0, 0.00743277, 0.27132425 ] ]

-43.622872

[ 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, -0.00332606, 0.00147652 ], [ 0, 0.00332606, -0.00147652 ], [ 0, 0.00151637, -0.00015243 ], [ 0, -0.00151637, 0.00015243 ] ]

0.000013

2.125381

pbe

true

fde65ab2fb719167178a3a023fa7a4e1_10_Ca1La1Th2Bi4

[ "C", "Ce", "Ta", "W" ]

12

A3BCD

C3CeTaW

Ce2 Ta2 W2 C6

4

[ 1, 1, 1 ]

3

[ [ 3.29457886, 0, 0 ], [ 0, 5.65022808, 0.10128292 ], [ 0, -1.98329111, 8.18570305 ] ]

agm005036963

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[{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}]

[ "Ce", "Ce", "Ta", "Ta", "W", "W", "C", "C", "C", "C", "C", "C" ]

2023-11-16 06:57:59

[ 0.5, 0.16666666666666666, 0.16666666666666666, 0.16666666666666666 ]

[ [ 0.0734363, 0, 0 ], [ 0, 0.00506079, -0.03771155 ], [ 0, -0.03771161, 0.12005486 ] ]

-120.830377

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, -0.00271002, -0.00019423 ], [ 0, 0.00271002, 0.00019423 ], [ 0, 0.00120538, 0.00065812 ], [ 0, -0.00120538, -0.00065812 ], [ 0, -0.00067035, -0.00084632 ], [ 0, 0.00067035, 0.00084632 ], [ 0, 0.00173766, -0.00162665 ], [ 0, 0.00241556, -0.00069594 ], [ 0, 0.00272231, 0.00015586 ], [ 0, -0.00173766, 0.00162665 ], [ 0, -0.00272231, -0.00015586 ], [ 0, -0.00241556, 0.00069594 ] ]

0.000003

6.009147

pbe

true

a12f91428664faee49bddad467ed6f71_11_Ce2Ta2W2C6

[ "As", "N", "Te", "V" ]

5

A2BCD

AsN2TeV

V1 Te1 As1 N2

4

[ 1, 1, 1 ]

3

[ [ 3.89183299, 0, 0 ], [ 0, 3.89183299, 0 ], [ 0, 0, 6.02940775 ] ]

agm001426666

[ [ 0, 1.945916495, 0 ], [ 1.945916495, 0, 0 ], [ 1.945916495, 1.945916495, 3.014703875 ], [ 0, 0, 0 ], [ 0, 0, 3.014703875 ] ]

[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]

[ "N", "N", "As", "Te", "V" ]

2023-11-16 06:57:59

[ 0.2, 0.4, 0.2, 0.2 ]

[ [ 1.0300635, 0, 0 ], [ 0, 1.0300635, 0 ], [ 0, 0, 0.61972624 ] ]

-25.528485

[ 0.094, 0.094, -0.305, -0.045, 2.107 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

2.040196

3.958411

pbe

true

cd48b9c38f29a754b96558fb4c345733_123_V1Te1As1N2

[ "Lu", "Sm", "Th" ]

3

ABC

LuSmTh

Sm1 Lu1 Th1

3

[ 1, 1, 1 ]

3

[ [ 3.57973726, 0, 0 ], [ 0, 3.57973726, 0 ], [ -1.78986863, -1.78986863, 7.47301684 ] ]

agm001845018

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[{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}]

[ "Lu", "Sm", "Th" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 0.27068493, 0, 0 ], [ 0, 0.27068493, 0 ], [ 0, 0, 0.57997274 ] ]

-16.554856

[ 0, 0, 0 ]

[ [ 0, 0, -0.0026428 ], [ 0, 0, 0.00259998 ], [ 0, 0, 0.00004282 ] ]

-0.000107

4.264936

pbe

true

6add302f242a20ffcd4b6fd5291e4bc8_107_Sm1Lu1Th1

[ "Cu", "In", "Pd", "Pm" ]

4

ABCD

CuInPdPm

Pm1 In1 Cu1 Pd1

4

[ 1, 1, 1 ]

3

[ [ 4.85445706, 0, 0 ], [ 2.42722853, 4.20408314, 0 ], [ 2.42722853, 1.40136105, 3.96364759 ] ]

agm001344435

[ [ 4.85445706, 2.802722095, 1.981823795 ], [ 2.42722853, 1.4013610475, 0.9909118975 ], [ 7.2816855899999995, 4.2040831425, 2.9727356924999997 ], [ 0, 0, 0 ] ]

[{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}]

[ "In", "Cu", "Pd", "Pm" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ -2.811824, 0, 0 ], [ 0, -2.811824, 0 ], [ 0, 0, -2.811824 ] ]

-18.752252

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.000023

3.744491

pbe

true

1add8afc7af60fa366ae41f275137409_216_Pm1In1Cu1Pd1

[ "In", "Ir", "Si", "Th" ]

10

A4B3C2D

InIr4Si3Th2

Th2 In1 Si3 Ir4

4

[ 1, 1, 1 ]

3

[ [ 4.15023249, 0, 0 ], [ 0, 4.15023249, 0 ], [ 0, 0, 10.7606558 ] ]

agm004522256

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[{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]

[ "Th", "Th", "In", "Si", "Si", "Si", "Ir", "Ir", "Ir", "Ir" ]

2023-11-16 06:57:59

[ 0.1, 0.4, 0.3, 0.2 ]

[ [ 3.7761645, 0, 0 ], [ 0, 3.7761645, 0 ], [ 0, 0, 3.7111878 ] ]

-78.354681

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0.00109689 ], [ 0, 0, -0.00109689 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00173737 ], [ 0, 0, -0.00173737 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.00094925 ], [ 0, 0, 0.00094925 ] ]

0

4.076958

pbe

true

8af8076ab8736dc91c04fd7ae7c639b5_115_Th2In1Si3Ir4

[ "Bi", "Nb" ]

12

AB

BiNb

Nb6 Bi6

2

[ 1, 1, 1 ]

3

[ [ 3.63655126, -0.00064115, 0 ], [ -1.81912349, 5.43296176, 0 ], [ 0, 0, 13.89286616 ] ]

agm002166768

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[{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}]

[ "Nb", "Nb", "Nb", "Nb", "Nb", "Nb", "Bi", "Bi", "Bi", "Bi", "Bi", "Bi" ]

2023-11-16 06:57:59

[ 0.5, 0.5 ]

[ [ 4.862918, -0.23048744, 0 ], [ -0.23048668, 2.8100011, 0 ], [ 0, 0, 6.570012 ] ]

-82.033074

[ 0.001, 0, -0.001, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0.00316823, 0.00259753, -0.00818253 ], [ -0.00316823, -0.00259753, 0.00818253 ], [ -0.00316823, -0.00259753, -0.00818253 ], [ 0.00316823, 0.00259753, 0.00818253 ], [ -0.00753143, -0.00618501, 0 ], [ 0.00753143, 0.00618501, 0 ], [ -0.00312387, -0.01617144, 0 ], [ 0.00312387, 0.01617144, 0 ], [ -0.00137584, 0.01694777, 0.00031975 ], [ 0.00137584, -0.01694777, -0.00031975 ], [ 0.00137584, -0.01694777, 0.00031975 ], [ -0.00137584, 0.01694777, -0.00031975 ] ]

-0

5.004857

pbe

true

7b1919962f754197213aed3475059c5f_11_Nb6Bi6

[ "Na", "Pt", "V" ]

5

A3BC

NaPtV3

Na1 V3 Pt1

3

[ 1, 1, 1 ]

3

[ [ 4.89519235, 0, 0 ], [ 0, 4.89519235, 0 ], [ 0, 0, 4.89519235 ] ]

agm002547125

[ [ 2.447596175, 2.447596175, 2.447596175 ], [ 0, 0, 0 ], [ 0, 2.447596175, 0 ], [ 0, 0, 2.447596175 ], [ 2.447596175, 0, 0 ] ]

[{"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]

[ "Na", "Pt", "V", "V", "V" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.6 ]

[ [ 3.026399, 0, 0 ], [ 0, 3.026399, 0 ], [ 0, 0, 3.026399 ] ]

-29.942463

[ 0.003, -0.084, 2.178, 2.178, 2.178 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

7.706973

5.508317

pbe

true

12fcc266ec0a95fe2b8f02cb4002bb78_221_Na1V3Pt1

[ "Eu", "Hf" ]

2

AB

EuHf

Eu1 Hf1

2

[ 1, 1, 1 ]

3

[ [ 0, 3.10604, 3.10604 ], [ 3.10604, 0, 3.10604 ], [ 3.10604, 3.10604, 0 ] ]

oqmd-3713049

[ [ 0, 0, 0 ], [ 3.10604, 3.10604, 3.10604 ] ]

[{"mass": null, "name": "Eu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Eu"]}, {"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}]

[ "Eu", "Hf" ]

2024-11-01 00:00:00

[ 0.5, 0.5 ]

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2023-11-16 06:57:59

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