LeMaterial/LeMat-BulkUnique · Datasets at Hugging Face

[ "Al", "Co", "Er", "Ge" ]

10

A4B3C2D

AlCo4Er2Ge3

Er2 Al1 Co4 Ge3

4

[ 1, 1, 1 ]

3

[ [ 3.94251722, 0, 0 ], [ 0, 3.94251722, 0 ], [ 0, 0, 10.03975936 ] ]

agm004513763

[ [ 1.97125861, 0, 2.5002013738183937 ], [ 0, 1.97125861, 7.539557986181606 ], [ 1.97125861, 1.97125861, 5.01987968 ], [ 1.97125861, 1.97125861, 0 ], [ 0, 0, 0 ], [ 1.97125861, 0, 6.401102585879808 ], [ 0, 1.97125861, 3.6386567741201916 ], [ 0, 0, 5.01987968 ], [ 1.97125861, 0, 8.743428342171827 ], [ 0, 1.97125861, 1.2963310178281726 ] ]

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

[ "Er", "Er", "Al", "Co", "Co", "Co", "Co", "Ge", "Ge", "Ge" ]

2023-11-16 06:57:59

[ 0.1, 0.4, 0.2, 0.3 ]

[ [ 3.784277, 0, 0 ], [ 0, 3.784277, 0 ], [ 0, 0, 3.934029 ] ]

-60.77601

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

[ [ 0, 0, 0.0007146 ], [ 0, 0, -0.0007146 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.00228895 ], [ 0, 0, 0.00228895 ], [ 0, 0, 0 ], [ 0, 0, 0.00207353 ], [ 0, 0, -0.00207353 ] ]

0.000115

10.483369

pbe

true

ff82aaa695d95d5f21fe3d3cd8c9d0f3_115_Er2Al1Co4Ge3

[ "As", "K", "Mn", "N" ]

5

A2BCD

AsKMn2N

K1 Mn2 As1 N1

4

[ 1, 1, 1 ]

3

[ [ 3.90637868, 0, 0 ], [ 0, 4.97041781, 0 ], [ 0, 0, 3.90637868 ] ]

agm001553661

[ [ 0, 2.485208905, 0 ], [ 0, 0, 1.95318934 ], [ 1.95318934, 0, 0 ], [ 1.95318934, 2.485208905, 1.95318934 ], [ 0, 0, 0 ] ]

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

[ "As", "Mn", "Mn", "K", "N" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.4, 0.2 ]

[ [ 0.3323924, 0, 0 ], [ 0, -1.0440636, 0 ], [ 0, 0, 0.3323924 ] ]

-28.138709

[ 0, 0.001, 0, 0, 0 ]

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

0.00046

7.130634

pbe

true

0451a79a2dc3fe1f8486dd4237124094_123_K1Mn2As1N1

[ "As", "N", "Pb", "V" ]

5

A2BCD

As2NPbV

V1 As2 Pb1 N1

4

[ 1, 1, 1 ]

3

[ [ 4.62617203, 0, 0 ], [ 0, 5.44676926, 0 ], [ 0, 0, 4.62617203 ] ]

agm001549624

[ [ 0, 2.72338463, 0 ], [ 0, 0, 2.313086015 ], [ 2.313086015, 0, 0 ], [ 2.313086015, 2.72338463, 2.313086015 ], [ 0, 0, 0 ] ]

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

[ "Pb", "As", "As", "N", "V" ]

2023-11-16 06:57:59

[ 0.4, 0.2, 0.2, 0.2 ]

[ [ -0.41553292, 0, 0 ], [ 0, -0.58770293, 0 ], [ 0, 0, -0.41553292 ] ]

-25.308483

[ -0.054, -0.067, -0.048, 1.442, 0.466 ]

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

2.344528

3.086118

pbe

true

81f7c637bc3cf389d26ba07824e9e1fc_123_V1As2Pb1N1

[ "C", "K", "Nb", "Re" ]

5

A2BCD

CKNbRe2

K1 Nb1 Re2 C1

4

[ 1, 1, 1 ]

3

[ [ 4.46098352, 0, 0 ], [ 0, 4.61923101, 0 ], [ 0, 0, 4.46098352 ] ]

agm001527510

[ [ 2.23049176, 2.309615505, 2.23049176 ], [ 0, 0, 2.23049176 ], [ 2.23049176, 0, 0 ], [ 0, 2.309615505, 0 ], [ 0, 0, 0 ] ]

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

[ "C", "Re", "Re", "Nb", "K" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.2, 0.4 ]

[ [ 0.678003, 0, 0 ], [ 0, -0.7421436, 0 ], [ 0, 0, 0.678003 ] ]

-22.243153

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

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

0

6.150601

pbe

true

3ba026ed4df4475c6e471e8e80c5bf45_123_K1Nb1Re2C1

[ "Cd", "Dy", "Ni", "Tm" ]

4

ABCD

CdDyNiTm

Dy1 Tm1 Cd1 Ni1

4

[ 1, 1, 1 ]

3

[ [ 3.42494832, 0, 0 ], [ 0, 3.42494832, 0 ], [ 0, 0, 7.58594584 ] ]

agm005194053

[ [ 1.71247416, 1.71247416, 5.941349649584782 ], [ 1.71247416, 1.71247416, 2.7309106137733905 ], [ 0, 0, 0.5814550109712432 ], [ 0, 0, 4.284922342178042 ] ]

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

[ "Dy", "Tm", "Cd", "Ni" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ -1.6090454, 0, 0 ], [ 0, -1.6090454, 0 ], [ 0, 0, -1.8578197 ] ]

-17.307986

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0.00229124 ], [ 0, 0, 0.00210447 ], [ 0, 0, 0.00074254 ], [ 0, 0, -0.00513825 ] ]

-0.000005

2.228032

pbe

true

40ed185c0cb4afdf0422ea1341845eba_99_Dy1Tm1Cd1Ni1

[ "Ce", "H", "In", "Ir" ]

10

A6B2CD

CeH6InIr2

Ce1 In1 H6 Ir2

4

[ 1, 1, 1 ]

3

[ [ 4.6506928, -0.00000188, 0 ], [ 2.32534803, 4.02761717, 0 ], [ 2.32534694, 1.34253843, 5.55492503 ] ]

agm004973739

[ [ 0, 0, 0 ], [ 4.650693885, 2.68507686, 2.777462515 ], [ 3.437139783784324, 3.3856113596952766, 4.620275841898571 ], [ 4.650790260497437, 1.2838409303077578, 4.620275841898571 ], [ 3.437236162599201, 1.9843754300030343, 0.9346491881014284 ], [ 5.864247986215676, 1.9845423603047234, 0.9346491881014284 ], [ 4.650597509502562, 4.086312789692242, 0.9346491881014284 ], [ 5.864151607400798, 3.3857782899969657, 4.620275841898571 ], [ 6.9760431764489095, 4.027616645963814, 3.5854306379057728 ], [ 2.32534459355109, 1.3425370740361857, 1.9694943920942267 ] ]

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

[ "Ce", "In", "H", "H", "H", "H", "H", "H", "Ir", "Ir" ]

2023-11-16 06:57:59

[ 0.1, 0.6, 0.1, 0.2 ]

[ [ 5.7705956, 0, 0 ], [ 0, 5.7705956, 0 ], [ 0, 0, 6.0773168 ] ]

-49.695721

[ 0.893, -0.002, -0.002, -0.002, -0.002, -0.002, -0.002, -0.002, 0.017, 0.017 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00850292, 0.00490917, -0.01043041 ], [ 0, -0.00981833, -0.01043041 ], [ -0.00850292, -0.00490916, 0.01043041 ], [ 0.00850292, -0.00490917, 0.01043041 ], [ 0, 0.00981833, 0.01043041 ], [ 0.00850292, 0.00490916, -0.01043041 ], [ 0, 0, 0.02256323 ], [ 0, 0, -0.02256323 ] ]

1.003836

6.203762

pbe

true

e13e3d741879547e6d6af1c939a100e1_166_Ce1In1H6Ir2

[ "H", "Pm", "Sb" ]

80

A12B5C3

H5Pm12Sb3

Pm48 Sb12 H20

3

[ 1, 1, 1 ]

3

[ [ 13.89207548, 0, 0 ], [ -4.63069182, 13.09757436, 0 ], [ -4.63069182, -6.54878718, 11.34283212 ] ]

agm001254928

[ [ 8.1037107, 4.0929919875000005, 1.417854015 ], [ 8.1037107025, 9.0045823725, 1.417854015 ], [ -1.1576729475, 5.730188782500001, 7.089270075 ], [ 1.1576729600000002, -0.8185983975, 4.253562045000001 ], [ 10.4190566125, 0, 2.83570803 ], [ 1.1576729625000002, 6.54878718, 2.83570803 ], [ 3.4730188774999995, 4.440892098500626e-16, 8.507124090000001 ], [ -5.7883647725, 6.54878718, 8.507124090000001 ], [ 3.4730188800000006, 7.3673855775, 7.089270075 ], [ 5.7883647875, 0.8185983975, 4.253562045000001 ], [ -3.4730188625, -2.4557951925, 9.924978105000001 ], [ -3.47301886, 2.4557951924999992, 9.924978105000001 ], [ -1.1576729525, 3.2743935900000003, 2.83570803 ], [ -2.31534591, 6.54878718, 0 ], [ 0, 0, 0 ], [ 3.4730188725000004, 2.4557951925, 1.417854015 ], [ 4.63069183, -3.27439359, 5.67141606 ], [ 4.63069183, 6.54878718, 0 ], [ -3.4730188625, 7.3673855775, 4.253562045000001 ], [ 5.788364790000001, -4.0929919875, 9.924978105000001 ], [ 5.78836479, 5.730188782499999, 4.253562045000001 ], [ 1.1576729624999997, -3.27439359, 8.507124090000001 ], [ 3.4730188775000004, 9.82318077, 2.83570803 ], [ 2.31534592, 3.27439359, 5.67141606 ], [ 6.94603774, 0, 0 ], [ -2.31534591, -3.27439359, 5.67141606 ], [ -1.1576729499999998, 0.8185983975000004, 7.089270075 ], [ -1.1576729499999998, 10.6417791675, 1.417854015 ], [ -4.63069182, 3.27439359, 5.67141606 ], [ 8.103710702499999, -0.8185983975, 7.089270075 ], [ 1.1576729674999995, 4.0929919875000005, 9.924978105000001 ], [ 5.7883647924999995, 3.2743935899999994, 8.507124090000001 ], [ 9.248906857042957, 1.355777007783424, 0.17757101598370922 ], [ 0.012476803270141449, 4.106063104759792, 4.586064237769183 ], [ 10.523139980121272, 3.1789019913197274, 3.3109666841269765 ], [ 5.684281419878731, 1.9964633251826718, 1.2629228382145261 ], [ 1.8047301392280592, 4.7397203469272595, 7.854294419889315 ], [ 10.025000994533192, 6.541758104768218, 2.1828783598893144 ], [ -1.2617563142832793, 7.731225846137055, 4.573889522341503 ], [ -3.3689354976519104, 11.101111034817329, 1.2629228382145261 ], [ 0.5106157946208546, 8.35785401307274, 7.854294419889315 ], [ 6.182420409315722, 6.555816255231781, 2.1828783598893144 ], [ 6.958514542957045, 3.798501083023631, 4.408493221785474 ], [ 6.958514543270142, 11.741797352216576, 0.17757101598370922 ], [ -4.120076035066046, 5.897485082118357, 5.848987075983709 ], [ 3.078963252619468, 4.661873603961164, 1.0975265376584975 ], [ -4.643168615183864, 9.299073276976369, 4.408493221785474 ], [ 2.327822715183864, -2.442724075240207, 6.756767882230817 ], [ -0.5106157807719427, 1.157764735191098, 2.360449375873024 ], [ 3.0789632545331895, 8.442729831270617, 1.085351822230817 ], [ 5.684281425716721, 9.918672368680273, 3.3109666841269765 ], [ -0.7636173326194671, 4.654844528729382, 1.085351822230817 ], [ -2.825961684933953, 7.706551915191098, 8.982382744126978 ], [ 3.5771022423480887, 5.3663485138629445, 4.573889522341503 ], [ 6.435421965379145, 7.200089277881644, 5.848987075983709 ], [ 5.39430917068428, -1.8869135760388365, 10.245305582341503 ], [ 1.0535895976519107, 1.1824386661370556, 6.768942597658498 ], [ -1.804730125379145, -0.6513020978816426, 5.4938450440162905 ], [ -0.7636173306842772, 8.435700756038836, 1.0975265376584975 ], [ -1.05358958571672, -3.3698851886802723, 8.031865435873023 ], [ 7.456653524933955, -1.1577647351910978, 2.360449375873024 ], [ 5.394309172619468, 1.893942651270618, 10.257480297769185 ], [ 1.5517285854668097, -1.893942651270618, 10.257480297769185 ], [ 2.3028691248161377, 8.991511255240205, 4.586064237769183 ], [ 5.141307620771943, 5.391022444808903, 8.982382744126978 ], [ 9.273860455183865, -2.7502860969763687, 6.934338898214527 ], [ 8.750767875066048, 0.6513020978816431, 5.4938450440162905 ], [ -2.3278227032701406, -5.193010172216575, 11.165261104016292 ], [ 1.551728587380535, 1.8869135760388365, 10.245305582341503 ], [ 4.120076045379145, -1.8090668330727409, 3.488537700110686 ], [ -1.5517285693157221, -0.00702907523178144, 9.159953760110687 ], [ -2.3278227029570426, 2.7502860969763674, 6.934338898214527 ], [ 7.999627337651911, -4.5523238548173275, 10.079909281785474 ], [ 5.8924481542832785, -1.1824386661370556, 6.768942597658498 ], [ -1.0535895798787316, 4.552323854817328, 10.079909281785474 ], [ -5.3943091545331905, 0.007029075231781407, 9.159953760110687 ], [ 2.8259617007719426, 1.8090668330727406, 3.488537700110686 ], [ -5.892448140121269, 3.3698851886802736, 8.031865435873023 ], [ 4.618215036729859, 2.442724075240207, 6.756767882230817 ], [ -4.618215017042957, 5.1930101722165745, 11.165261104016292 ] ]

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

[ "Sb", "Sb", "Sb", "Sb", "Sb", "Sb", "Sb", "Sb", "Sb", "Sb", "Sb", "Sb", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm" ]

2023-11-16 06:57:59

[ 0.25, 0.6, 0.15 ]

[ [ 2.221737, 0, 0 ], [ 0, 2.221737, 0 ], [ 0, 0, 2.221737 ] ]

-379.447686

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70.98117

pbe

true

7c19af5494e982fe841bed71b729ac61_230_Pm48Sb12H20

[ "C", "Nb", "Os" ]

11

A7B2C2

C2Nb7Os2

Nb7 Os2 C2

3

[ 1, 1, 1 ]

3

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agm003321029

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[ "Nb", "Nb", "Nb", "Nb", "Nb", "Nb", "Nb", "Os", "Os", "C", "C" ]

2023-11-16 06:57:59

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-111.799898

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0.000002

8.323096

pbe

true

26383df99c981af3b171612861fe25c8_44_Nb7Os2C2

[ "C", "Sm", "U" ]

3

ABC

CSmU

Sm1 U1 C1

3

[ 1, 1, 1 ]

3

[ [ 3.23835541, 0, 0 ], [ 0, 3.23835541, 0 ], [ -1.6191777, -1.6191777, 6.66912665 ] ]

agm001836974

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

[ "C", "U", "Sm" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 0.3177617, 0, 0 ], [ 0, 0.3177617, 0 ], [ 0, 0, 0.33605006 ] ]

-24.300287

[ -0.081, 1.581, -0.03 ]

[ [ 0, 0, -0.00248262 ], [ 0, 0, 0.00141642 ], [ 0, 0, 0.00106621 ] ]

1.604716

5.185588

pbe

true

4d2889353977b4c08b63e9ceec2a29e2_107_Sm1U1C1

[ "Cr", "Ir", "Te" ]

8

A2BC

CrIrTe2

Cr2 Te4 Ir2

3

[ 1, 1, 1 ]

3

[ [ 5.9160081, 0, 0 ], [ 0, 5.9160081, 0 ], [ 2.95800405, 2.95800405, 6.37351904 ] ]

agm002821683

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

[ "Cr", "Cr", "Ir", "Ir", "Te", "Te", "Te", "Te" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 1.3397155, 0, 0 ], [ 0, 1.3397155, 0 ], [ 0, 0, 1.6338506 ] ]

-47.236309

[ 3.538, 3.535, -0.027, -0.028, -0.098, -0.087, -0.101, -0.091 ]

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7.423479

6.844881

pbe

true

238b2713a67ff476305a878e97afc254_122_Cr2Te4Ir2

[ "Ho", "In", "Np", "O" ]

12

A8B2CD

HoIn2NpO8

Ho1 Np1 In2 O8

4

[ 1, 1, 1 ]

3

[ [ 5.03509054, -0.05853451, -0.0029269 ], [ -0.02986322, 5.03099841, -0.00553999 ], [ 0.0041843, 0.00790686, 6.77006923 ] ]

agm004905604

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[ "Ho", "Np", "In", "In", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.08333333333333333, 0.16666666666666666, 0.08333333333333333, 0.6666666666666666 ]

[ [ 0.62371475, -0.11998266, -0.01426115 ], [ -0.11998237, 0.7683419, -0.02884979 ], [ -0.01426132, -0.02884979, 0.39015013 ] ]

-90.348789

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-0.085052

1.975906

pbe

true

2897b04e9a3a99170258c9309f635ddc_10_Ho1Np1In2O8

[ "Ni", "Pb", "W" ]

4

A2BC

Ni2PbW

Ni2 Pb1 W1

3

[ 1, 1, 1 ]

3

[ [ 4.41406667, -0.00966878, -0.02175962 ], [ 3.41830436, 2.79271792, -0.02175962 ], [ 0.64288184, 0.22843297, 5.30938477 ] ]

agm004238693

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

[ "Ni", "Ni", "Pb", "W" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

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-26.336956

[ 0, 0, 0, 0 ]

[ [ 0.00292753, 0.00104023, -0.00372252 ], [ -0.00292753, -0.00104023, 0.00372252 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0

2.484087

pbe

true

c4b29377ba6bc11355666525a945e2a2_12_Ni2Pb1W1

[ "Au", "Cu", "Re" ]

4

A2BC

AuCu2Re

Cu2 Re1 Au1

3

[ 1, 1, 1 ]

3

[ [ 2.66329957, 0, 0 ], [ 0, 4.8331078, 0 ], [ 0, 0, 4.60447628 ] ]

agm004241659

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

[ "Au", "Cu", "Cu", "Re" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ -4.609435, 0, 0 ], [ 0, -5.984092, 0 ], [ 0, 0, -4.3526554 ] ]

-22.125764

[ 0.022, 0.038, 0.011, 0.513 ]

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

0.637972

1.802693

pbe

true

242d19fcc094cc3e61f333e6c78eec9b_47_Cu2Re1Au1

[ "Ce", "Li", "S", "Tb" ]

12

A6B3C2D

Ce2LiS6Tb3

Li1 Tb3 Ce2 S6

4

[ 1, 1, 1 ]

3

[ [ 6.83686568, -0.00654561, -0.00422011 ], [ -3.42243838, 5.91858857, -0.00422011 ], [ -1.14316779, -1.97938234, 6.4593938 ] ]

agm004641479

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

[ "Li", "Tb", "Tb", "Tb", "Ce", "Ce", "S", "S", "S", "S", "S", "S" ]

2023-11-16 06:57:59

[ 0.16666666666666666, 0.08333333333333333, 0.5, 0.25 ]

[ [ 0.8729472, 0.03511933, -0.02775864 ], [ 0.03511933, 0.9134732, -0.04806378 ], [ -0.02775868, -0.04806385, 0.740391 ] ]

-75.900723

[ 0.001, 0.015, 0.015, 0.019, 0.651, 0.651, -0.009, -0.008, -0.009, -0.009, -0.008, -0.009 ]

[ [ 0, 0, 0 ], [ -0.00438799, 0.00253423, 0 ], [ 0.00438799, -0.00253423, 0 ], [ 0, 0, 0 ], [ -0.00008362, 0.00004829, 0 ], [ 0.00008362, -0.00004829, 0 ], [ -0.00115613, 0.0008604, -0.000087 ], [ 0.00130899, 0.00226651, -0.00155367 ], [ 0.00115613, -0.0008604, 0.000087 ], [ 0.00132303, -0.00057141, -0.000087 ], [ -0.00130899, -0.00226651, 0.00155367 ], [ -0.00132303, 0.00057141, 0.000087 ] ]

1.588082

12.998074

pbe

true

c6a3501769a70d5ea3649e1407bb3af6_12_Li1Tb3Ce2S6

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

7

A2B2C2D

Cu2Ge2Sc2Th

Th1 Sc2 Cu2 Ge2

4

[ 1, 1, 1 ]

3

[ [ 4.23888519, 0, 0 ], [ 2.11944259, 3.67098226, 0 ], [ 2.11944259, 1.22366075, 8.81980026 ] ]

agm004545936

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

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

2023-11-16 06:57:59

[ 0.2857142857142857, 0.2857142857142857, 0.2857142857142857, 0.14285714285714285 ]

[ [ -2.104003, 0, 0 ], [ 0, -2.104003, 0 ], [ 0, 0, -2.4626188 ] ]

-40.859868

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

[ [ 0, 0, 0 ], [ 0, 0, 0.00391841 ], [ 0, 0, -0.00391841 ], [ 0, 0, 0.00567945 ], [ 0, 0, -0.00567945 ], [ 0, 0, 0.00047716 ], [ 0, 0, -0.00047716 ] ]

0

4.507947

pbe

true

35b6b0bb2aea1c75faac2240494deb17_166_Th1Sc2Cu2Ge2

[ "In", "Mg", "Sc", "Sm" ]

4

ABCD

InMgScSm

Sm1 Mg1 Sc1 In1

4

[ 1, 1, 1 ]

3

[ [ 5.22321824, 0, 0 ], [ 2.61160912, 4.52343969, 0 ], [ 2.61160912, 1.50781323, 4.26473984 ] ]

agm001388866

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

[ "Sc", "Mg", "Sm", "In" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 2.6302547, 0, 0 ], [ 0, 2.6302547, 0 ], [ 0, 0, 2.6302547 ] ]

-16.604366

[ 0, 0, 0, 0 ]

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

0.000003

2.939618

pbe

true

a3e501c1fc2cf3f120b7436206457ea3_216_Sm1Mg1Sc1In1

[ "Ir", "Mo", "Zn" ]

10

A2B2C

Ir2MoZn2

Zn4 Mo2 Ir4

3

[ 1, 1, 1 ]

3

[ [ 7.19672149, 0, 0 ], [ 0, 7.19672149, 0 ], [ 0, 0, 2.83237594 ] ]

agm003028945

[ [ 0, 0, 0 ], [ 3.598360745, 3.598360745, 0 ], [ 1.3066782788073972, 4.905039023807397, 1.41618797 ], [ 4.905039023807397, 5.890043211192602, 1.41618797 ], [ 5.890043211192602, 2.2916824661926025, 1.41618797 ], [ 2.2916824661926025, 1.3066782788073972, 1.41618797 ], [ 2.7462777725514327, 6.344638517551433, 0 ], [ 6.344638517551433, 4.450443717448567, 0 ], [ 4.450443717448567, 0.8520829724485672, 0 ], [ 0.8520829724485672, 2.7462777725514327, 0 ] ]

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

[ "Mo", "Mo", "Ir", "Ir", "Ir", "Ir", "Zn", "Zn", "Zn", "Zn" ]

2023-11-16 06:57:59

[ 0.4, 0.2, 0.4 ]

[ [ 3.771192, 0, 0 ], [ 0, 3.771192, 0 ], [ 0, 0, 3.4646277 ] ]

-61.51616

[ 0.462, 0.462, 0.073, 0.063, 0.073, 0.063, 0.004, 0.004, 0.004, 0.004 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00980764, 0.00980764, 0 ], [ 0.00980764, -0.00980764, 0 ], [ -0.00980764, -0.00980764, 0 ], [ -0.00980764, 0.00980764, 0 ], [ 0.00769579, 0.00769579, 0 ], [ 0.00769579, -0.00769579, 0 ], [ -0.00769579, -0.00769579, 0 ], [ -0.00769579, 0.00769579, 0 ] ]

1.335004

11.386215

pbe

true

b64328e3158b63fa637f04dfa10122e3_127_Zn4Mo2Ir4

[ "K", "Sb", "Te" ]

4

A2BC

KSb2Te

K1 Sb2 Te1

3

[ 1, 1, 1 ]

3

[ [ 4.70725995, 0, 0 ], [ 0, 4.71224944, 0 ], [ 0, 0, 5.42978628 ] ]

agm003956510

[ [ 0, 2.35612472, 2.71489314 ], [ 0, 0, 0 ], [ 2.353629975, 2.35612472, 0 ], [ 2.353629975, 0, 2.71489314 ] ]

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

[ "K", "Sb", "Sb", "Te" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 0.6439762, 0, 0 ], [ 0, 0.5547072, 0 ], [ 0, 0, 0.7975914 ] ]

-12.891614

[ 0, 0, 0, 0 ]

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

-0.000012

2.983595

pbe

true

86cc2dfded8cc5b1af081a264a353381_123_K1Sb2Te1

[ "F", "I", "Mg" ]

3

ABC

FIMg

Mg1 I1 F1

3

[ 1, 1, 1 ]

3

[ [ 6.71850919, -0.21250147, 0 ], [ 1.06867876, 3.37674244, 0 ], [ 0, 0, 15 ] ]

agm2000055162

[ [ 7.1575902332565535, 2.3981847974485473, 7.5 ], [ 1.9876210329438997, 0.267109694899957, 7.5 ], [ 5.747818664080947, 0.9875774379876955, 7.5 ] ]

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

[ "Mg", "I", "F" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 0.11119247, -0.02325226, 0 ], [ -0.02325223, 0.18325678, 0 ], [ 0, 0, -0.21390112 ] ]

-10.524907

[ 0, 0, 0 ]

[ [ -0.00653625, 0.00074317, 0 ], [ 0.00193744, 0.00310405, 0 ], [ 0.00459881, -0.00384722, 0 ] ]

0

-0.00012

pbe

true

311dcda470910b8f24274ac561524f6b_6_Mg1I1F1

[ "Be", "Cr", "Ru" ]

4

A2BC

Be2CrRu

Be2 Cr1 Ru1

3

[ 1, 1, 1 ]

3

[ [ 0, 2.77507161, 2.77507161 ], [ 2.77507161, 0, 2.77507161 ], [ 2.77507161, 2.77507161, 0 ] ]

agm002647309

[ [ 2.77507161, 2.77507161, 2.77507161 ], [ 1.387535805, 1.387535805, 1.387535805 ], [ 4.162607415, 4.162607415, 4.162607415 ], [ 0, 0, 0 ] ]

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

[ "Ru", "Be", "Be", "Cr" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 4.130825, 0, 0 ], [ 0, 4.130825, 0 ], [ 0, 0, 4.130825 ] ]

-26.654119

[ 0.061, -0.015, -0.015, 2.367 ]

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

2.539086

3.615091

pbe

true

48ecda482e859ed37e3c771b83511951_225_Be2Cr1Ru1

[ "Al", "Br", "I", "N" ]

5

A2BCD

AlBrI2N

Al1 I2 Br1 N1

4

[ 1, 1, 1 ]

3

[ [ 6.12746273, 0, 0 ], [ 0, 6.12746273, 0 ], [ 0, 0, 3.45983598 ] ]

agm001702070

[ [ 0, 3.063731365, 0 ], [ 3.063731365, 0, 0 ], [ 0, 0, 0 ], [ 3.063731365, 3.063731365, 1.72991799 ], [ 0, 0, 1.72991799 ] ]

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

[ "I", "I", "Al", "Br", "N" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.4, 0.2 ]

[ [ 0.13503616, 0, 0 ], [ 0, 0.13503616, 0 ], [ 0, 0, 0.09800872 ] ]

-15.336393

[ 0, 0, 0, 0, 0 ]

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

0

6.594807

pbe

true

77b58315242c1fc41c7eac91994a446e_123_Al1I2Br1N1

[ "Bi", "Cs", "In" ]

10

A2B2C

BiCs2In2

Cs4 In4 Bi2

3

[ 1, 1, 1 ]

3

[ [ 8.20048687, 0, 0 ], [ 0, 8.20048687, 0 ], [ 0, 0, 6.45670499 ] ]

agm002983941

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

[ "Cs", "Cs", "Cs", "Cs", "Bi", "Bi", "In", "In", "In", "In" ]

2023-11-16 06:57:59

[ 0.2, 0.4, 0.4 ]

[ [ 1.1130437, 0, 0 ], [ 0, 1.1130437, 0 ], [ 0, 0, 1.3747727 ] ]

-23.482827

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

[ [ 0.00363875, 0.00363875, 0 ], [ 0.00363875, -0.00363875, 0 ], [ -0.00363875, -0.00363875, 0 ], [ -0.00363875, 0.00363875, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00022369, 0.00022369, 0 ], [ 0.00022369, -0.00022369, 0 ], [ -0.00022369, -0.00022369, 0 ], [ -0.00022369, 0.00022369, 0 ] ]

0

8.167171

pbe

true

da033d4c20bb830ee0dd651abf23f715_127_Cs4In4Bi2

[ "Cd", "Mg", "Th" ]

20

A15B4C

Cd15Mg4Th

Th1 Mg4 Cd15

3

[ 1, 1, 1 ]

3

[ [ 4.63210007, 0, 0 ], [ 0, 4.63210007, 0 ], [ 0, 0, 21.26163569 ] ]

agm006028841

[ [ 0, 0, 0 ], [ 0, 0, 4.355283419583471 ], [ 0, 0, 8.561118801901932 ], [ 0, 0, 12.700516888098067 ], [ 0, 0, 16.90635227041653 ], [ 2.316050035, 2.316050035, 0 ], [ 2.316050035, 2.316050035, 4.423977425717935 ], [ 2.316050035, 2.316050035, 8.521055714387622 ], [ 2.316050035, 2.316050035, 12.740579975612375 ], [ 2.316050035, 2.316050035, 16.837658264282062 ], [ 2.316050035, 0, 2.3444261658738363 ], [ 2.316050035, 0, 6.455730189750988 ], [ 2.316050035, 0, 10.630817845 ], [ 2.316050035, 0, 14.805905500249011 ], [ 2.316050035, 0, 18.91720952412616 ], [ 0, 2.316050035, 2.3444261658738363 ], [ 0, 2.316050035, 6.455730189750988 ], [ 0, 2.316050035, 10.630817845 ], [ 0, 2.316050035, 14.805905500249011 ], [ 0, 2.316050035, 18.91720952412616 ] ]

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

[ "Th", "Mg", "Mg", "Mg", "Mg", "Cd", "Cd", "Cd", "Cd", "Cd", "Cd", "Cd", "Cd", "Cd", "Cd", "Cd", "Cd", "Cd", "Cd", "Cd" ]

2023-11-16 06:57:59

[ 0.75, 0.2, 0.05 ]

[ [ 5.5018396, 0, 0 ], [ 0, 5.5018396, 0 ], [ 0, 0, 5.4193807 ] ]

-29.010352

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

[ [ 0, 0, 0 ], [ 0, 0, 0.00365658 ], [ 0, 0, 0.00626634 ], [ 0, 0, -0.00626634 ], [ 0, 0, -0.00365658 ], [ 0, 0, 0 ], [ 0, 0, 0.0099066 ], [ 0, 0, 0.00106169 ], [ 0, 0, -0.00106169 ], [ 0, 0, -0.0099066 ], [ 0, 0, 0.00119062 ], [ 0, 0, 0.0067169 ], [ 0, 0, 0 ], [ 0, 0, -0.0067169 ], [ 0, 0, -0.00119062 ], [ 0, 0, 0.00119062 ], [ 0, 0, 0.0067169 ], [ 0, 0, 0 ], [ 0, 0, -0.0067169 ], [ 0, 0, -0.00119062 ] ]

-0

5.532432

pbe

true

0725f32cbbee04d7ba3662c13d4ed30b_123_Th1Mg4Cd15

[ "Fe", "Tb", "V" ]

13

A10B2C

Fe10TbV2

Tb1 V2 Fe10

3

[ 1, 1, 1 ]

3

[ [ -2.33976656, 4.21333058, 4.2512085 ], [ 2.33976656, -4.21333058, 4.2512085 ], [ 2.33976656, 4.21333058, -4.2512085 ] ]

agm005289939

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

[ "Tb", "V", "V", "Fe", "Fe", "Fe", "Fe", "Fe", "Fe", "Fe", "Fe", "Fe", "Fe" ]

2023-11-16 06:57:59

[ 0.7692307692307693, 0.07692307692307693, 0.15384615384615385 ]

[ [ 8.864511, 0, 0 ], [ 0, 9.204094, 0 ], [ 0, 0, 8.764264 ] ]

-108.372908

[ -0.355, -1.039, -1.039, 2.049, 2.049, 2.012, 2.012, 1.716, 1.716, 1.716, 1.716, 2.373, 2.373 ]

[ [ 0, 0, 0 ], [ 0, 0, -0.00155271 ], [ 0, 0, 0.00155271 ], [ 0, 0.00404068, 0 ], [ 0, -0.00404068, 0 ], [ 0, 0, 0.00421185 ], [ 0, 0, -0.00421185 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.00292243, 0 ], [ 0, -0.00292243, 0 ] ]

16.741947

11.367677

pbe

true

56b97c7b78bb9e65036c33c7fac482a2_71_Tb1V2Fe10

[ "Cr", "N", "Nd", "P" ]

20

A6B2CD

CrN6NdP2

Nd2 Cr2 P4 N12

4

[ 1, 1, 1 ]

3

[ [ 5.66057505, 0.08940317, 0.0927803 ], [ 1.91954441, 6.84626398, -0.0788533 ], [ 1.91954441, -0.33253051, 6.83863815 ] ]

agm004981119

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

[ "Nd", "Nd", "Cr", "Cr", "P", "P", "P", "P", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N" ]

2023-11-16 06:57:59

[ 0.1, 0.6, 0.1, 0.2 ]

[ [ 0.45945677, 0.04685144, 0.04862122 ], [ 0.04685143, 0.8678833, -0.09804169 ], [ 0.04862121, -0.09804169, 0.8606112 ] ]

-159.959921

[ 0.018, 0.018, 0.98, 0.98, 0.016, 0.016, 0.016, 0.016, -0.016, -0.016, -0.016, -0.016, -0.029, -0.029, -0.029, -0.029, -0.015, -0.015, -0.015, -0.015 ]

[ [ 0, -0.00084493, 0.00081417 ], [ 0, 0.00084493, -0.00081417 ], [ 0, 0.00028197, -0.00027171 ], [ 0, -0.00028197, 0.00027171 ], [ 0.00071195, -0.00074615, 0.00022366 ], [ -0.00071195, -0.00025116, 0.00073734 ], [ -0.00071195, 0.00074615, -0.00022366 ], [ 0.00071195, 0.00025116, -0.00073734 ], [ 0.00195714, -0.00004621, -0.00085376 ], [ -0.00195714, 0.00085146, 0.00007782 ], [ -0.00195714, 0.00004621, 0.00085376 ], [ 0.00195714, -0.00085146, -0.00007782 ], [ 0.00279965, -0.00154656, 0.00085126 ], [ -0.00279965, -0.00090799, 0.00151395 ], [ -0.00279965, 0.00154656, -0.00085126 ], [ 0.00279965, 0.00090799, -0.00151395 ], [ 0.00019832, 0.00220124, 0.0028292 ], [ -0.00019832, -0.00274567, -0.00230458 ], [ -0.00019832, -0.00220124, -0.0028292 ], [ 0.00019832, 0.00274567, 0.00230458 ] ]

2.009473

5.511583

pbe

true

c517188df2e1d8c1897e31757bac857f_15_Nd2Cr2P4N12

[ "Dy", "N", "Nd", "Sb" ]

11

A4B3C2D2

Dy4N2Nd2Sb3

Nd2 Dy4 Sb3 N2

4

[ 1, 1, 1 ]

3

[ [ 4.66497355, 0, 0 ], [ 0, 4.66497355, 0 ], [ -2.33248678, -2.33248677, 12.76590619 ] ]

agm004490863

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

[ "Nd", "Nd", "Dy", "Dy", "Dy", "Dy", "Sb", "Sb", "Sb", "N", "N" ]

2023-11-16 06:57:59

[ 0.36363636363636365, 0.18181818181818182, 0.18181818181818182, 0.2727272727272727 ]

[ [ 0.1423363, 0, 0 ], [ 0, 0.1423363, 0 ], [ 0, 0, 0.15057085 ] ]

-70.243675

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

[ [ 0, 0, 0.00153029 ], [ 0, 0, -0.00153029 ], [ 0, 0, 0.00380547 ], [ 0, 0, 0.00380547 ], [ 0, 0, -0.00380547 ], [ 0, 0, -0.00380547 ], [ 0, 0, 0 ], [ 0, 0, 0.00149867 ], [ 0, 0, -0.00149867 ], [ 0, 0, 0.00002596 ], [ 0, 0, -0.00002596 ] ]

0.000078

6.233511

pbe

true

9beff23dca3b4a7ce0d8a9e6f77a2c83_139_Nd2Dy4Sb3N2

[ "Ir", "Pm", "Ru", "Sn" ]

4

ABCD

IrPmRuSn

Pm1 Sn1 Ru1 Ir1

4

[ 1, 1, 1 ]

3

[ [ 4.7578923, 0, 0 ], [ 2.37894615, 4.1204556, 0 ], [ 2.37894615, 1.3734852, 3.8848028 ] ]

agm001308887

[ [ 7.13683845, 4.1204556, 2.9136021000000003 ], [ 2.37894615, 1.3734852, 0.9712007 ], [ 4.7578923, 2.7469704, 1.9424014 ], [ 0, 0, 0 ] ]

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

[ "Ru", "Ir", "Sn", "Pm" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 5.3742166, 0, 0 ], [ 0, 5.3742166, 0 ], [ 0, 0, 5.3742166 ] ]

-28.266164

[ 0, 0, 0, 0 ]

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

0.000002

0.48111

pbe

true

4de54f342d44c2e600e3d259f0286f88_216_Pm1Sn1Ru1Ir1

[ "Ga", "Sb", "Zr" ]

6

A3B2C

GaSb3Zr2

Ga1 Sb3 Zr2

3

[ 1, 1, 1 ]

3

[ [ 3.945936545, 0, 0 ], [ 0, 3.945936545, 0 ], [ 0, 0, 8.782022879 ] ]

oqmd-5414993

[ [ 1.9729700000000003, 1.9729700000000003, 0 ], [ 0, 0, 0 ], [ 1.9729700000000003, 0, 3.385800000000002 ], [ 0, 1.9729700000000003, 5.396220000000001 ], [ 0, 1.9729700000000003, 2.2839400000000003 ], [ 1.9729700000000003, 0, 6.498080000000003 ] ]

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

[ "Ga", "Sb", "Sb", "Sb", "Zr", "Zr" ]

2024-11-01 00:00:00

[ 0.16666666666666666, 0.5, 0.3333333333333333 ]

[ [ 2.5533724, 0, 0 ], [ 0, 2.5533724, 0 ], [ 0, 0, 3.57238163 ] ]

-35.9846

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

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.023188 ], [ 0, 0, 0.023188 ], [ 0, 0, 0.01007 ], [ 0, 0, -0.01007 ] ]

-0.002034

null

pbe

true

569ea6f3c6e2ee833c7c27d8d71447e1_115_Zr2Ga1Sb3

[ "Ge", "Ho", "Os" ]

4

A2BC

GeHo2Os

Ho2 Ge1 Os1

3

[ 1, 1, 1 ]

3

[ [ 3.46414892, 0, 0 ], [ 0, 3.46414892, 0 ], [ 0, 0, 7.02672914 ] ]

agm001114537

[ [ 1.73207446, 1.73207446, 3.51336457 ], [ 1.73207446, 1.73207446, 0 ], [ 0, 0, 5.38210210459558 ], [ 0, 0, 1.64462703540442 ] ]

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

[ "Ge", "Os", "Ho", "Ho" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 1.8047881, 0, 0 ], [ 0, 1.8047881, 0 ], [ 0, 0, 1.8062927 ] ]

-26.777209

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.00116615 ], [ 0, 0, 0.00116615 ] ]

-0.000001

2.153846

pbe

true

b2900121562f17eadaaef7bf71f350c6_123_Ho2Ge1Os1

[ "Ir", "Ni", "Sn" ]

10

A2B2C

IrNi2Sn2

Ni4 Sn4 Ir2

3

[ 1, 1, 1 ]

3

[ [ 7.04036286, 0, 0 ], [ 0, 7.04036286, 0 ], [ 0, 0, 3.13161139 ] ]

agm003004377

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

[ "Ni", "Ni", "Ni", "Ni", "Ir", "Ir", "Sn", "Sn", "Sn", "Sn" ]

2023-11-16 06:57:59

[ 0.2, 0.4, 0.4 ]

[ [ -4.2986655, 0, 0 ], [ 0, -4.2986655, 0 ], [ 0, 0, -4.155461 ] ]

-56.853243

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

[ [ 0.01032977, 0.01032977, 0 ], [ 0.01032977, -0.01032977, 0 ], [ -0.01032977, -0.01032977, 0 ], [ -0.01032977, 0.01032977, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00021251, -0.00021251, 0 ], [ -0.00021251, 0.00021251, 0 ], [ 0.00021251, 0.00021251, 0 ], [ 0.00021251, -0.00021251, 0 ] ]

0

4.629916

pbe

true

700af9eba1e854d9ec4412c34ca1bdc7_127_Ni4Sn4Ir2

[ "Ag", "I" ]

8

A3B

AgI3

Ag2 I6

2

[ 1, 1, 1 ]

3

[ [ 9.77717159, 2.3e-7, 0 ], [ -2.7e-7, 5.5848746, 0 ], [ 0, 0, 20.25683165 ] ]

agm2000027554

[ [ 9.77717137066274, 4.5369301887284115, 10.128415825 ], [ 4.888585380119308, 4.536930073728407, 10.128415825 ], [ 0.0026830279916745, 4.529529497307819, 12.75683169760319 ], [ 9.77448822182107, 4.529529727181579, 7.499999952396809 ], [ 4.891268822991674, 4.52952961230782, 7.499999952396809 ], [ 4.885902524592789, 4.529529556332835, 12.75683169760319 ], [ 9.777171407896612, 1.7443773376729357, 10.128415825 ], [ 4.88858580844004, 1.7443772785216864, 10.128415825 ] ]

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

[ "Ag", "Ag", "I", "I", "I", "I", "I", "I" ]

2023-11-16 06:57:59

[ 0.25, 0.75 ]

[ [ 0.21260768, -1e-8, 0 ], [ -1e-8, 0.23904316, 0 ], [ 0, 0, -0.01919274 ] ]

-13.822537

[ 0.003, 0.003, 0.081, 0.081, 0.081, 0.081, 0.08, 0.08 ]

[ [ 0, -0.00320483, 0 ], [ 0, -0.00320483, 0 ], [ -0.00040274, 0.00303684, 0.00100619 ], [ 0.00040274, 0.00303684, -0.00100619 ], [ -0.00040274, 0.00303684, -0.00100619 ], [ 0.00040274, 0.00303684, 0.00100619 ], [ 0, -0.00286885, 0 ], [ 0, -0.00286885, 0 ] ]

0.748423

14.413139

pbe

true

718d0f3c530770ddfab195d4d14a43d2_25_Ag2I6

[ "As", "Cd", "Ni", "Tl" ]

5

A2BCD

AsCd2NiTl

Tl1 Cd2 Ni1 As1

4

[ 1, 1, 1 ]

3

[ [ 5.12069454, 0, 0 ], [ 0, 4.50150456, 0 ], [ 0, 0, 5.12069454 ] ]

agm001485428

[ [ 0, 0, 0 ], [ 2.56034727, 2.25075228, 2.56034727 ], [ 0, 2.25075228, 0 ], [ 0, 0, 2.56034727 ], [ 2.56034727, 0, 0 ] ]

[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}]

[ "Ni", "Tl", "As", "Cd", "Cd" ]

2023-11-16 06:57:59

[ 0.2, 0.4, 0.2, 0.2 ]

[ [ -2.8162174, 0, 0 ], [ 0, 2.9027898, 0 ], [ 0, 0, -2.8162174 ] ]

-14.362501

[ 0, 0, 0, 0, 0 ]

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

0

2.769413

pbe

true

ac0873f66bb9611a6ee87a79b2e46f08_123_Tl1Cd2Ni1As1

[ "Be", "Co", "N", "Ta" ]

5

A2BCD

BeCoNTa2

Ta2 Be1 Co1 N1

4

[ 1, 1, 1 ]

3

[ [ 4.53448393, 0, 0 ], [ 0, 4.53448393, 0 ], [ 0, 0, 3.64610891 ] ]

agm001421925

[ [ 0, 0, 1.823054455 ], [ 2.267241965, 2.267241965, 1.823054455 ], [ 0, 0, 0 ], [ 0, 2.267241965, 0 ], [ 2.267241965, 0, 0 ] ]

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

[ "Be", "N", "Co", "Ta", "Ta" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.2, 0.4 ]

[ [ -3.5346475, 0, 0 ], [ 0, -3.5346475, 0 ], [ 0, 0, 9.851054 ] ]

-36.477217

[ 0, 0, 0, 0, 0 ]

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

0

3.372493

pbe

true

ad2f748e93e7678ada264f4107ca95bd_123_Ta2Be1Co1N1

[ "C", "Cd", "Tb", "Tc" ]

5

A2BCD

CCdTb2Tc

Tb2 Cd1 Tc1 C1

4

[ 1, 1, 1 ]

3

[ [ 4.00507254, 0, 0 ], [ 0, 5.03779783, 0 ], [ 0, 0, 5.03779783 ] ]

agm005012043

[ [ 0, 0, 2.518898915 ], [ 0, 2.518898915, 0 ], [ 2.00253627, 2.518898915, 2.518898915 ], [ 2.00253627, 0, 0 ], [ 0, 0, 0 ] ]

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

[ "Tb", "Tb", "Cd", "Tc", "C" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.4, 0.2 ]

[ [ 0.07963371, 0, 0 ], [ 0, -0.07687198, 0 ], [ 0, 0, -0.07687198 ] ]

-31.268705

[ 0, 0, 0, 0, 0 ]

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

-0.000055

2.80686

pbe

true

7fdc51390e89d920cb17e664280fd22e_123_Tb2Cd1Tc1C1

[ "Cd", "Dy", "Na", "Se" ]

24

A3BCD

CdDyNaSe3

Cd1 Dy1 Na1 Se3

4

[ 1, 1, 1 ]

3

[ [ 11.12166814, 0, 0 ], [ 0, 4.167870378, 0 ], [ 0, 0, 13.733046736 ] ]

oqmd-7705712

[ [ 2.64571, 1.04197, 3.008249999999999 ], [ 8.20654, 1.04197, 3.85828 ], [ 2.91513, 3.1258999999999997, 9.874769999999998 ], [ 8.47596, 3.1258999999999997, 10.724799999999998 ], [ 5.41875, 3.1258999999999997, 3.3219099999999995 ], [ 10.97958, 3.1258999999999997, 3.5446199999999997 ], [ 0.14209, 1.04197, 10.18843 ], [ 5.70292, 1.04197, 10.41114 ], [ 2.42636, 3.1258999999999997, 0.07512999999999999 ], [ 7.987189999999999, 3.1258999999999997, 6.7914 ], [ 3.1344799999999995, 1.04197, 6.941649999999999 ], [ 8.69531, 1.04197, 13.65792 ], [ 4.73745, 1.04197, 1.4664699999999995 ], [ 0.43474, 1.04197, 1.61086 ], [ 8.19314, 3.1258999999999997, 2.19792 ], [ 2.6323, 3.1258999999999997, 4.668609999999999 ], [ 5.99557, 1.04197, 5.25567 ], [ 10.298280000000002, 1.04197, 5.40006 ], [ 0.8233900000000001, 3.1258999999999997, 8.33299 ], [ 5.126099999999999, 3.1258999999999997, 8.47738 ], [ 8.48937, 1.04197, 9.06444 ], [ 2.9285300000000003, 1.04197, 11.53513 ], [ 10.68693, 3.1258999999999997, 12.12219 ], [ 6.38422, 3.1258999999999997, 12.26658 ] ]

[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}]

[ "Cd", "Cd", "Cd", "Cd", "Dy", "Dy", "Dy", "Dy", "Na", "Na", "Na", "Na", "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 ]

[ [ 7.56426405, 0, 0 ], [ 0, 7.58060723, 0 ], [ 0, 0, 10.17625587 ] ]

-98.7941

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

[ [ -0.020028, 0, -0.004267 ], [ -0.020028, 0, 0.004267 ], [ 0.020028, 0, -0.004267 ], [ 0.020028, 0, 0.004267 ], [ 0.005254, 0, 0.01105 ], [ 0.005254, 0, -0.01105 ], [ -0.005254, 0, 0.01105 ], [ -0.005254, 0, -0.01105 ], [ -0.020264, 0, -0.016459 ], [ -0.020264, 0, 0.016459 ], [ 0.020264, 0, -0.016459 ], [ 0.020264, 0, 0.016459 ], [ 0.003471, 0, -0.027178 ], [ 0.015269, 0, -0.011701 ], [ 0.001569, 0, -0.007936 ], [ 0.001569, 0, 0.007936 ], [ 0.015269, 0, 0.011701 ], [ 0.003471, 0, 0.027178 ], [ -0.003471, 0, -0.027178 ], [ -0.015269, 0, -0.011701 ], [ -0.001569, 0, -0.007936 ], [ -0.001569, 0, 0.007936 ], [ -0.015269, 0, 0.011701 ], [ -0.003471, 0, 0.027178 ] ]

0.013204

null

pbe

true

620db80d61167e12d347f2fe0fa6851d_62_Na4Dy4Cd4Se12

[ "Cd", "Dy", "Ga", "Hg" ]

4

ABCD

CdDyGaHg

Dy1 Cd1 Ga1 Hg1

4

[ 1, 1, 1 ]

3

[ [ 5.02622057, 0, 0 ], [ 2.51311029, 4.3528347, 0 ], [ 2.51311029, 1.4509449, 4.10389191 ] ]

agm001325476

[ [ 7.539330862500001, 4.3528347, 3.0779189325 ], [ 5.026220575, 2.9018898, 2.051945955 ], [ 0, 0, 0 ], [ 2.5131102875, 1.4509449, 1.0259729775 ] ]

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

[ "Cd", "Hg", "Ga", "Dy" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 4.351173, 0, 0 ], [ 0, 4.351173, 0 ], [ 0, 0, 4.351173 ] ]

-10.248454

[ 0, 0, 0, 0 ]

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

0.000001

0.38716

pbe

true

5376a8292c3617693f6c2b67c68098bf_216_Dy1Cd1Ga1Hg1

[ "F", "S" ]

16

AB

FS

S8 F8

2

[ 1, 1, 1 ]

3

[ [ 7.78497291, 0, 0 ], [ 0, 6.01726105, 0 ], [ 0, 0, 8.29732302 ] ]

agm004444832

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

2023-11-16 06:57:59

[ 0.5, 0.5 ]

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0

pbe

true

a8f1a2806f4b9500bc934d1a56fcdee4_19_S8F8

[ "Ag", "Mn", "Tl" ]

4

A2BC

AgMn2Tl

Mn2 Tl1 Ag1

3

[ 1, 1, 1 ]

3

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agm004346500

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[ "Ag", "Mn", "Mn", "Tl" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 5.714521, -0.13274787, -0.06242683 ], [ -0.13274787, 6.0607452, -0.0211802 ], [ -0.06242689, -0.02118022, 6.47068 ] ]

-21.799585

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2.82254

pbe

true

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[ "Co", "Li", "Os" ]

4

A2BC

CoLi2Os

Li2 Co1 Os1

3

[ 1, 1, 1 ]

3

[ [ 2.45783821, 0, 0 ], [ 0, 4.31529978, 0 ], [ 0, 0, 4.94565633 ] ]

agm004234815

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[ "Co", "Li", "Li", "Os" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

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1.92042

3.271152

pbe

true

cd708a193aba53cbf208c5041c3013e0_47_Li2Co1Os1

[ "Co", "Li", "Ni" ]

11

A7B2C2

Co2Li2Ni7

Li2 Co2 Ni7

3

[ 1, 1, 1 ]

3

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agm005571157

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[ "Li", "Li", "Co", "Co", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni" ]

2023-11-16 06:57:59

[ 0.18181818181818182, 0.18181818181818182, 0.6363636363636364 ]

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-58.262775

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6.988215

11.981916

pbe

true

5470c9a15ff222aa6849e86c6e2d2b54_2_Li2Co2Ni7

[ "Ge", "Rh", "Th" ]

11

A5B4C2

Ge4Rh5Th2

Th2 Ge4 Rh5

3

[ 1, 1, 1 ]

3

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agm003365273

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[ "Th", "Th", "Ge", "Ge", "Ge", "Ge", "Rh", "Rh", "Rh", "Rh", "Rh" ]

2023-11-16 06:57:59

[ 0.36363636363636365, 0.45454545454545453, 0.18181818181818182 ]

[ [ 7.3058753, 0, 0 ], [ 0, 7.3110895, 0 ], [ 0, 0, 7.354293 ] ]

-78.453452

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0.000001

6.103368

pbe

true

3d5779a59ee3367405447ea954065ffd_69_Th2Ge4Rh5

[ "Hg", "Nb", "Ru" ]

4

A2BC

HgNb2Ru

Nb2 Hg1 Ru1

3

[ 1, 1, 1 ]

3

[ [ 2.90275854, 0, 0 ], [ 1.45137927, 2.51386264, 0 ], [ 1.45137927, 0.83795421, 10.40987012 ] ]

agm001998143

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[ "Ru", "Nb", "Nb", "Hg" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 7.2399883, 0, 0 ], [ 0, 7.2399883, 0 ], [ 0, 0, 8.026889 ] ]

-28.184329

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-0.000035

5.186623

pbe

true

5ee45aacd4301427a4c0217212182ec1_166_Nb2Hg1Ru1

[ "La", "Pm", "Pr" ]

10

A5B4C

La4Pm5Pr

La4 Pm5 Pr1

3

[ 1, 1, 1 ]

3

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agm006026284

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[ "La", "La", "La", "La", "Pm", "Pm", "Pm", "Pm", "Pm", "Pr" ]

2023-11-16 06:57:59

[ 0.4, 0.5, 0.1 ]

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-46.533962

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-0.000004

16.15681

pbe

true

9c212ab1647a077a48811f37ae07c385_12_La4Pm5Pr1

[ "Hg", "In" ]

7

A5B2

Hg2In5

In5 Hg2

2

[ 1, 1, 1 ]

3

[ [ 5.43321289, 0, 0 ], [ -2.71660645, 4.70530039, 0 ], [ 0, 0, 20.90793773 ] ]

agm2000114049

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[ "Hg", "Hg", "In", "In", "In", "In", "In" ]

2023-11-16 06:57:59

[ 0.2857142857142857, 0.7142857142857143 ]

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0

2.52979

pbe

true

5b634ba8e1862035ccb28df3505536f1_157_In5Hg2

[ "As", "O", "Pr" ]

32

A5B2C

AsO5Pr2

Pr8 As4 O20

3

[ 1, 1, 1 ]

3

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2023-11-16 06:57:59

[ 0.125, 0.625, 0.25 ]

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-236.609734

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3.664372

6.183219

pbe

true

88e944d4e794b40da85f5e0eea411e1b_14_Pr8As4O20

[ "Au", "Cd", "Mg" ]

8

A2BC

AuCd2Mg

Mg2 Cd4 Au2

3

[ 1, 1, 1 ]

3

[ [ 8.26284439, 0, 0 ], [ 0, 8.26284439, 0 ], [ 4.13142219, 4.13142219, 2.76187407 ] ]

agm002853399

[ [ 4.131422195, 4.131422195, 0 ], [ 4.1314221925000005, 8.2628443875, 1.380937035 ], [ 0, 0, 0 ], [ 8.2628443875, 4.1314221925000005, 1.380937035 ], [ 6.497823238937178, 2.0657110962500003, 0.6904685175 ], [ 1.765021148562822, 6.197133291249999, 0.6904685175 ], [ 6.197133288750001, 5.896443341062822, 2.0714055525 ], [ 10.32855548375, 10.629245431437178, 2.0714055525 ] ]

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

[ "Mg", "Mg", "Au", "Au", "Cd", "Cd", "Cd", "Cd" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 4.0423837, 0, 0 ], [ 0, 4.0423837, 0 ], [ 0, 0, 6.361804 ] ]

-13.968394

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

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.01223153, 0, 0 ], [ 0.01223153, 0, 0 ], [ 0, 0.01223153, 0 ], [ 0, -0.01223153, 0 ] ]

0

2.350798

pbe

true

8e5a0a1f1b4f87341383eac7cce3aea4_122_Mg2Cd4Au2

[ "B", "O" ]

8

AB

BO

B4 O4

2

[ 1, 1, 1 ]

3

[ [ 6.54913602, 0, 0.00598008 ], [ 0, 2.45384919, 0 ], [ -0.90046861, 0, 4.15301173 ] ]

agm002120929

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

[ "B", "B", "B", "B", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.5, 0.5 ]

[ [ 1.0705472, 0, 0.09975069 ], [ 0, -0.22385894, 0 ], [ 0.09975066, 0, -0.11994332 ] ]

-60.250113

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

[ [ -0.00604672, 0, 0.00053022 ], [ 0.00604672, 0, -0.00053022 ], [ -0.00604672, 0, 0.00053022 ], [ 0.00604672, 0, -0.00053022 ], [ 0.00204219, 0, 0.0002296 ], [ -0.00204219, 0, -0.0002296 ], [ 0.00204219, 0, 0.0002296 ], [ -0.00204219, 0, -0.0002296 ] ]

0

pbe

true

08cf7798091542c0a4c2aa0faecafd43_12_B4O4

[ "Be", "I" ]

6

A2B

BeI2

Be2 I4

2

[ 1, 1, 1 ]

3

[ [ 8.45040276, 0, 0 ], [ 0, 4.94490824, 0 ], [ 0, 0, 18.78535359 ] ]

agm2000017801

[ [ 4.22520138, 0.237205023064092, 11.284037666310036 ], [ 0, 0.5831638580922457, 7.498714715778356 ], [ 4.22520138, 3.055627027274325, 7.498696493985374 ], [ 0, 2.7096615166200473, 11.284050064643406 ], [ 0, 1.63858682612644, 9.395281008568181 ], [ 4.22520138, 4.111072692437341, 9.395281008568181 ] ]

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

[ "I", "I", "I", "I", "Be", "Be" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.6666666666666666 ]

[ [ -0.01209992, 0, 0 ], [ 0, 0.00280535, -0.04472979 ], [ 0, -0.04472969, -0.10408382 ] ]

-15.336562

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

[ [ 0, -0.00620038, -0.00359593 ], [ 0, -0.00017528, 0.00181768 ], [ 0, -0.00017528, 0.00181768 ], [ 0, -0.00620038, -0.00359593 ], [ 0, 0.00637566, 0.00177825 ], [ 0, 0.00637566, 0.00177825 ] ]

0.00002

0

pbe

true

1283926a39edfe97ae0eaa070af95dde_8_Be2I4

[ "O", "Re", "Sc" ]

5

A3BC

O3ReSc

Sc1 Re1 O3

3

[ 1, 1, 1 ]

3

[ [ 3.89723695, 0, 0 ], [ 0, 3.89723695, 0 ], [ 0, 0, 3.89723695 ] ]

agm002559249

[ [ 1.948618475, 1.948618475, 1.948618475 ], [ 0, 0, 0 ], [ 0, 1.948618475, 0 ], [ 0, 0, 1.948618475 ], [ 1.948618475, 0, 0 ] ]

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

[ "Sc", "Re", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.6, 0.2, 0.2 ]

[ [ 50.43631, 0, 0 ], [ 0, 50.43631, 0 ], [ 0, 0, 50.43631 ] ]

-40.782798

[ 0.582, 0.299, 0.001, -0.009, 0.03 ]

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

1.080698

4.026684

pbe

true

45272eb2a4e8637d4e0eb5787f0dfa53_221_Sc1Re1O3

[ "Ag", "As", "Ni", "Pm" ]

10

A4B3C2D

AgAs4Ni3Pm2

Pm2 Ni3 Ag1 As4

4

[ 1, 1, 1 ]

3

[ [ 4.27116138, 0, 0 ], [ 0, 4.27116138, 0 ], [ 0, 0, 9.76052462 ] ]

agm004529715

[ [ 2.13558069, 0, 2.3501637145256424 ], [ 0, 2.13558069, 7.4103609054743576 ], [ 0, 0, 4.88026231 ], [ 2.13558069, 0, 8.66872697679373 ], [ 0, 2.13558069, 1.09179764320627 ], [ 2.13558069, 2.13558069, 4.88026231 ], [ 2.13558069, 2.13558069, 0 ], [ 0, 0, 0 ], [ 2.13558069, 0, 6.315449654914307 ], [ 0, 2.13558069, 3.445074965085692 ] ]

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

[ "Pm", "Pm", "Ni", "Ni", "Ni", "Ag", "As", "As", "As", "As" ]

2023-11-16 06:57:59

[ 0.1, 0.4, 0.3, 0.2 ]

[ [ -2.3180783, 0, 0 ], [ 0, -2.3180783, 0 ], [ 0, 0, -2.2794197 ] ]

-55.439336

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

[ [ 0, 0, -0.002755 ], [ 0, 0, 0.002755 ], [ 0, 0, 0 ], [ 0, 0, -0.00547527 ], [ 0, 0, 0.00547527 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00012726 ], [ 0, 0, -0.00012726 ] ]

-0.000001

4.364412

pbe

true

cc35a944c508b0ee731fdbb8a3f7bb17_115_Pm2Ni3Ag1As4

[ "Ce", "Cl", "Na", "Tb" ]

12

A8B2CD

CeCl8Na2Tb

Na2 Tb1 Ce1 Cl8

4

[ 1, 1, 1 ]

3

[ [ 6.62046461, -0.18297005, -0.004016 ], [ -0.21004927, 6.50805163, -0.00719095 ], [ 0.00387817, 0.01102592, 8.43846285 ] ]

agm004915110

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

[ "Na", "Na", "Tb", "Ce", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl" ]

2023-11-16 06:57:59

[ 0.08333333333333333, 0.6666666666666666, 0.16666666666666666, 0.08333333333333333 ]

[ [ 0.46067244, -0.0122229, -0.00012644 ], [ -0.01222366, 0.37510324, 0.00002226 ], [ -0.00012643, 0.00002226, 0.3341789 ] ]

-53.03276

[ 0, 0, 0.001, 0.978, -0.003, 0, -0.003, -0.003, 0, -0.003, -0.007, -0.007 ]

[ [ 5.2e-7, 0.00000149, 0.00114011 ], [ -5.2e-7, -0.00000149, -0.00114011 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00263215, 0.00014905, 0.00045646 ], [ 0.00349774, 0.00117147, -0.00000355 ], [ -0.00263173, -0.00014785, 0.00046015 ], [ -0.00263215, -0.00014905, -0.00045646 ], [ -0.00349774, -0.00117147, 0.00000355 ], [ 0.00263173, 0.00014785, -0.00046015 ], [ 0.00358326, -0.00088848, -0.00000129 ], [ -0.00358326, 0.00088848, 0.00000129 ] ]

1.000018

9.244599

pbe

true

521c3cf0fdfdd071972d619e6e985c15_10_Na2Tb1Ce1Cl8

[ "H", "Hf", "Pd", "Zr" ]

5

A2BCD

HHfPdZr2

Hf1 Zr2 H1 Pd1

4

[ 1, 1, 1 ]

3

[ [ 4.32916441, 0, 0 ], [ 0, 4.32916441, 0 ], [ 0, 0, 4.46856587 ] ]

agm001627267

[ [ 0, 0, 0 ], [ 0, 0, 2.234282935 ], [ 0, 2.164582205, 0 ], [ 2.164582205, 0, 0 ], [ 2.164582205, 2.164582205, 2.234282935 ] ]

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

[ "H", "Hf", "Zr", "Zr", "Pd" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.2, 0.4 ]

[ [ 5.4083757, 0, 0 ], [ 0, 5.4083757, 0 ], [ 0, 0, 6.0778303 ] ]

-37.024826

[ 0, 0, 0, 0, 0 ]

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

-0

5.997356

pbe

true

494daed12f0804ed6251735fed1b8152_123_Hf1Zr2H1Pd1

[ "Mn", "Na", "Te", "Th" ]

16

A8B4C3D

MnNa4Te8Th3

Na4 Th3 Mn1 Te8

4

[ 1, 1, 1 ]

3

[ [ 8.7978018, 0, 0 ], [ 0, 9.20931724, 0.27944589 ], [ -4.3989009, -4.39485958, 6.22464626 ] ]

agm004732157

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

[ "Na", "Na", "Na", "Na", "Th", "Th", "Th", "Mn", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te" ]

2023-11-16 06:57:59

[ 0.0625, 0.25, 0.5, 0.1875 ]

[ [ 0.4000396, 0, 0 ], [ 0, 0.31563708, -0.05976593 ], [ 0, -0.05976593, 0.35782298 ] ]

-77.294507

[ 0.006, 0, 0, 0, -0.05, -0.05, -0.05, 4.199, 0.015, 0.015, 0, 0.015, 0.015, 0, 0.015, 0.015 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00105464, -0.00361025, -0.0032917 ], [ 0, -0.00466392, -0.00179934 ], [ 0, 0.0008885, 0.00062671 ], [ -0.00105464, -0.00361025, -0.0032917 ], [ 0.00105464, 0.00361025, 0.0032917 ], [ 0, -0.0008885, -0.00062671 ], [ 0, 0.00466392, 0.00179934 ], [ -0.00105464, 0.00361025, 0.0032917 ] ]

4.336406

8.221424

pbe

true

94807525ad621ad802025cc661dcf03b_166_Na4Th3Mn1Te8

[ "Au", "Bi", "N", "Se" ]

5

A2BCD

AuBiN2Se

Bi1 Au1 Se1 N2

4

[ 1, 1, 1 ]

3

[ [ 4.20544691, 0, 0 ], [ 0, 4.20544691, 0 ], [ 0, 0, 5.31339865 ] ]

agm001732826

[ [ 0, 0, 0 ], [ 2.102723455, 2.102723455, 2.656699325 ], [ 0, 0, 2.656699325 ], [ 0, 2.102723455, 0 ], [ 2.102723455, 0, 0 ] ]

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

[ "Au", "Bi", "Se", "N", "N" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.4, 0.2 ]

[ [ 0.16351672, 0, 0 ], [ 0, 0.16351672, 0 ], [ 0, 0, 0.4316222 ] ]

-19.752769

[ 0.16, -0.282, 0.066, 0.733, 0.733 ]

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

1.937927

2.505406

pbe

true

684b73b84526b04973f55998187b5eb3_123_Bi1Au1Se1N2

[ "Cr", "Ge", "Ni" ]

16

A14BC

CrGeNi14

Cr1 Ni14 Ge1

3

[ 1, 1, 1 ]

3

[ [ 5.01764734, -0.01071825, 0 ], [ 0.01061039, 5.01764734, 0 ], [ 0, 0, 7.02607418 ] ]

agm005759141

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[ "Cr", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ge" ]

2023-11-16 06:57:59

[ 0.0625, 0.0625, 0.875 ]

[ [ -12.259107, 0.00026353, 0 ], [ 0.00026353, -12.259108, 0 ], [ 0, 0, -13.338444 ] ]

-96.001188

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2.955125

26.269058

pbe

true

2cdcf8245f96bcb4f1c4995fb35a9eed_123_Cr1Ni14Ge1

[ "Eu", "Fe", "Zn" ]

4

A2BC

Eu2FeZn

Eu2 Zn1 Fe1

3

[ 1, 1, 1 ]

3

[ [ 5.15402615, 0, 0 ], [ 2.57701308, 4.46351758, 0 ], [ 2.57701308, 1.48783919, 4.20824473 ] ]

agm002274556

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

[ "Eu", "Eu", "Zn", "Fe" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 1.7821567, 0, 0 ], [ 0, 1.7821567, 0 ], [ 0, 0, 1.7821567 ] ]

-29.61456

[ 6.92, 6.92, 0.055, -2.624 ]

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

12.132316

12.118938

pbe

true

204da527d2606908b2ffb44b1c0b35d2_225_Eu2Zn1Fe1

[ "F", "In", "Tl" ]

6

ABC

FInTl

Tl2 In2 F2

3

[ 1, 1, 1 ]

3

[ [ 6.43161378, 9e-8, 0 ], [ 0.00000225, 8.66934451, 0 ], [ 0, 0, 15 ] ]

agm2000105117

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

[ "Tl", "Tl", "In", "In", "F", "F" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 0.11206908, 4e-8, 0 ], [ 4e-8, 0.13800658, 0 ], [ 0, 0, -0.28313807 ] ]

-18.321714

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

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-0

5.778234

pbe

true

98117dd05f9559b8b4cc11cab37d67db_38_Tl2In2F2

[ "Ga", "La", "Nb" ]

5

A3BC

Ga3LaNb

La1 Nb1 Ga3

3

[ 1, 1, 1 ]

3

[ [ 4.9800331, 0, 0 ], [ 0, 4.9800331, 0 ], [ 0, 0, 4.9800331 ] ]

agm002479579

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

[ "Nb", "Ga", "Ga", "Ga", "La" ]

2023-11-16 06:57:59

[ 0.6, 0.2, 0.2 ]

[ [ 3.6669056, 0, 0 ], [ 0, 3.6669056, 0 ], [ 0, 0, 3.6669056 ] ]

-25.17013

[ 0, 0, 0, 0, 0 ]

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

0

2.631833

pbe

true

3f81f01d65317e6216e95a042d5adfb5_221_La1Nb1Ga3

[ "Al", "Nb", "Ti" ]

4

A2BC

Al2NbTi

Ti1 Nb1 Al2

3

[ 1, 1, 1 ]

3

[ [ 3.46504204, 0, 0 ], [ 0, 3.46504204, 0 ], [ 0, 0, 5.54944821 ] ]

agm001116483

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

[ "Nb", "Al", "Al", "Ti" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 3.5223186, 0, 0 ], [ 0, 3.5223186, 0 ], [ 0, 0, 3.5104284 ] ]

-26.381327

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0.00163341 ], [ 0, 0, -0.00163341 ], [ 0, 0, 0 ] ]

0.000016

4.077487

pbe

true

2bf5330740a41302ab6527bb22850c0b_123_Ti1Nb1Al2

[ "Ge", "Mo", "P" ]

5

A3BC

GeMoP3

Ge1 Mo1 P3

3

[ 1, 1, 1 ]

3

[ [ 7.5698287, -0.05877458, 0 ], [ -6.07480957, 2.69075531, 0 ], [ 0, 0, 18.50583741 ] ]

agm2000058800

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

[ "Ge", "Mo", "P", "P", "P" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.6 ]

[ [ 0.31578583, 0.01315638, 0 ], [ 0.01315638, 0.3727489, 0 ], [ 0, 0, -0.07169797 ] ]

-30.546551

[ 0, 0, 0, 0, 0 ]

[ [ 0.00740799, -0.0039591, 0 ], [ -0.00094946, 0.00090158, 0 ], [ -0.00043836, 0.00137563, 0.00163828 ], [ -0.00043836, 0.00137563, -0.00163828 ], [ -0.0055818, 0.00030627, 0 ] ]

0

1.875184

pbe

true

4e8edbbbed844097c68fc361fad79514_6_Ge1Mo1P3

[ "Na", "P", "Zr" ]

4

A2BC

NaP2Zr

Na1 Zr1 P2

3

[ 1, 1, 1 ]

3

[ [ 3.86038022, 0, 0 ], [ 1.93019011, 3.34318734, 0 ], [ 1.93019011, 1.11439578, 6.72622687 ] ]

agm001961361

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

[ "P", "P", "Zr", "Na" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 0.7053381, 0, 0 ], [ 0, 0.7053381, 0 ], [ 0, 0, 0.6637992 ] ]

-23.290583

[ 0, 0, 0, 0 ]

[ [ 0, 0, -0.00327957 ], [ 0, 0, 0.00327957 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.000005

2.776065

pbe

true

9d99f6a6cdcf3ad1c161d6c820e6517a_166_Na1Zr1P2

[ "C", "H", "Sm" ]

10

A2B2C

C2HSm2

Sm4 H2 C4

3

[ 1, 1, 1 ]

3

[ [ 4.3777358, 0, 0 ], [ 0, 6.46340299, -0.14792742 ], [ -2.1888679, -1.87043216, 6.03901526 ] ]

agm003404468

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

[ "Sm", "Sm", "Sm", "Sm", "H", "H", "C", "C", "C", "C" ]

2023-11-16 06:57:59

[ 0.4, 0.2, 0.4 ]

[ [ 0.47463515, 0, 0 ], [ 0, 0.41684037, -0.11793575 ], [ 0, -0.11793576, 0.16393656 ] ]

-66.028429

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

[ [ -0.00202093, -0.00141456, -0.00186056 ], [ 0.00202093, -0.00141456, -0.00186056 ], [ 0.00202093, 0.00141456, 0.00186056 ], [ -0.00202093, 0.00141456, 0.00186056 ], [ -0.00489161, 0, 0 ], [ 0.00489161, 0, 0 ], [ 0.0016912, -0.00201212, 0.00266612 ], [ 0.0016912, 0.00201212, -0.00266612 ], [ -0.0016912, 0.00201212, -0.00266612 ], [ -0.0016912, -0.00201212, 0.00266612 ] ]

-0.000001

2.679891

pbe

true

7133edb5ba0193ffd26cc1fb7e5b2923_15_Sm4H2C4

[ "Ag", "O", "Tc" ]

20

A3BC

AgO3Tc

Tc4 Ag4 O12

3

[ 1, 1, 1 ]

3

[ [ 4.97267906, 0, 0 ], [ 0, 7.71155224, -0.5265433 ], [ 0, -2.09642404, 7.20202606 ] ]

agm003710342

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

[ "Tc", "Tc", "Tc", "Tc", "Ag", "Ag", "Ag", "Ag", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.2, 0.6, 0.2 ]

[ [ 0.67989296, 0, 0 ], [ 0, 0.44620273, -0.06746762 ], [ 0, -0.0674677, 0.6254121 ] ]

-130.829812

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

[ [ -0.00034158, 0.00255123, 0.00129343 ], [ 0.00034158, -0.00255123, -0.00129343 ], [ -0.00034158, -0.00255123, -0.00129343 ], [ 0.00034158, 0.00255123, 0.00129343 ], [ -0.00067877, -0.00097649, -0.00187378 ], [ 0.00067877, 0.00097649, 0.00187378 ], [ -0.00067877, 0.00097649, 0.00187378 ], [ 0.00067877, -0.00097649, -0.00187378 ], [ -0.00007607, 0.00074339, -0.00045387 ], [ 0.00007607, -0.00074339, 0.00045387 ], [ -0.00007607, -0.00074339, 0.00045387 ], [ 0.00007607, 0.00074339, -0.00045387 ], [ -0.00097501, 0.00133642, -0.00427864 ], [ 0.00097501, -0.00133642, 0.00427864 ], [ -0.00097501, -0.00133642, 0.00427864 ], [ 0.00097501, 0.00133642, -0.00427864 ], [ 0.00149254, 0.00147809, 0.0011615 ], [ -0.00149254, -0.00147809, -0.0011615 ], [ 0.00149254, -0.00147809, -0.0011615 ], [ -0.00149254, 0.00147809, 0.0011615 ] ]

0

8.624805

pbe

true

8d4e90854ae8db5548adc48ee15b5ac7_14_Tc4Ag4O12

[ "Ag", "Pt", "Y" ]

4

A2BC

AgPt2Y

Y1 Ag1 Pt2

3

[ 1, 1, 1 ]

3

[ [ 0, 3.36218607, 3.36218607 ], [ 3.36218607, 0, 3.36218607 ], [ 3.36218607, 3.36218607, 0 ] ]

agm002750247

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

[ "Y", "Ag", "Pt", "Pt" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 5.9327235, 0, 0 ], [ 0, 5.9327235, 0 ], [ 0, 0, 5.9327235 ] ]

-24.11018

[ 0, 0, 0, 0 ]

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

0

2.070546

pbe

true

213a9c6ea1f0ae3ff4f6f2b4257ea5b9_225_Y1Ag1Pt2

[ "Bi", "Ca", "Na", "Pb" ]

4

ABCD

BiCaNaPb

Na1 Ca1 Bi1 Pb1

4

[ 1, 1, 1 ]

3

[ [ 5.53914278, 0, 0 ], [ 2.76957139, 4.79703836, 0 ], [ 2.76957139, 1.59901279, 4.52269114 ] ]

agm001387567

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

[ "Pb", "Na", "Ca", "Bi" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 2.3146052, 0, 0 ], [ 0, 2.3146052, 0 ], [ 0, 0, 2.3146052 ] ]

-12.496682

[ 0, 0, 0, 0 ]

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

-0.000005

2.429951

pbe

true

fc371720396ca25d83f2d7c4a902b57d_216_Na1Ca1Bi1Pb1

[ "Li", "O", "Pd" ]

8

A2BC

LiO2Pd

Li2 Pd2 O4

3

[ 1, 1, 1 ]

3

[ [ 3.08348524, 0, 0 ], [ 0, 5.03712525, 0 ], [ 0, 0, 5.14175681 ] ]

agm002158379

[ [ 0, 3.3811429724723925, 3.7220484952947697 ], [ 0, 1.6559822775276076, 1.419708314705231 ], [ 1.54174262, 0.8625803474723925, 3.990586719705231 ], [ 1.54174262, 4.174544902527607, 1.1511700902947695 ], [ 1.54174262, 2.518562625, 2.570878405 ], [ 0, 0, 0 ], [ 0, 0, 2.570878405 ], [ 1.54174262, 2.518562625, 0 ] ]

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

[ "O", "O", "O", "O", "Pd", "Pd", "Li", "Li" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ -2.5370953, 0, 0 ], [ 0, 2.6409183, 0 ], [ 0, 0, 1.2293879 ] ]

-41.682415

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

[ [ 0, -0.00656395, 0.00496907 ], [ 0, 0.00656395, -0.00496907 ], [ 0, -0.00656395, -0.00496907 ], [ 0, 0.00656395, 0.00496907 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0

2.880753

pbe

true

02d6b2479c257699b81dea5ca5e4bd5f_58_Li2Pd2O4

[ "Cr", "Pa", "Ru" ]

4

A2BC

CrPa2Ru

Pa2 Cr1 Ru1

3

[ 1, 1, 1 ]

3

[ [ 3.49230611, 0, 0 ], [ 0, 4.74189706, 0 ], [ 0, 0, 4.74189706 ] ]

agm001202938

[ [ 1.746153055, 0, 0 ], [ 0, 0, 2.37094853 ], [ 0, 2.37094853, 0 ], [ 1.746153055, 2.37094853, 2.37094853 ] ]

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

[ "Ru", "Pa", "Pa", "Cr" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 2.5317774, 0, 0 ], [ 0, 2.7351975, 0 ], [ 0, 0, 2.7351975 ] ]

-37.699784

[ 0.047, -0.136, -0.136, 0.732 ]

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

0.493911

6.697623

pbe

true

49d61f2df6482cfde19d63481cffdb0d_123_Pa2Cr1Ru1

[ "Al", "Cu", "Mn", "Te" ]

8

A4B2CD

Al2CuMnTe4

Mn1 Al2 Cu1 Te4

4

[ 1, 1, 1 ]

3

[ [ 6.17600953, 0.2567955, -0.00038307 ], [ -0.25638545, 6.17602656, -0.00038307 ], [ -2.96018657, -3.21681803, 6.15629139 ] ]

agm004872917

[ [ 0.00009913687945240002, 0.00010773148706500002, 0.0002765105688894 ], [ 3.0878554462519445, 0.1282273531323158, 3.078183438502773 ], [ -0.12835014856572985, 3.0878503413634517, 3.078183438502773 ], [ 2.9598631574098673, 3.2164665790006186, 0.00007947833171519995 ], [ 1.4481628631401866, 1.5737104054156015, 4.67495995525137 ], [ 1.385634340529929, 4.664690215914894, 1.4813843923851104 ], [ 4.53367713222354, 1.7677921353803658, 1.4813843923851104 ], [ -1.4488205056812944, -1.5744250624041614, 4.675317595626334 ] ]

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

[ "Mn", "Al", "Al", "Cu", "Te", "Te", "Te", "Te" ]

2023-11-16 06:57:59

[ 0.25, 0.125, 0.125, 0.5 ]

[ [ -0.18947962, 0.00591193, 0.01706235 ], [ 0.00591193, -0.18849546, 0.01854156 ], [ 0.01706247, 0.01854169, -0.354582 ] ]

-35.020408

[ 3.796, -0.023, -0.023, 0.021, -0.006, -0.006, -0.006, -0.006 ]

[ [ -0.00004882, -0.00005305, 0.00032372 ], [ 0.00008692, 0.00012341, 0.00008311 ], [ 0.00011578, 0.00009686, 0.00008311 ], [ 0.00015377, 0.0001671, -0.00072094 ], [ -0.00011355, -0.00012339, -0.00114618 ], [ -0.00007421, -0.00003725, 0.00128687 ], [ -0.00003096, -0.00007704, 0.00128687 ], [ -0.00008892, -0.00009663, -0.00119656 ] ]

4.101884

3.431653

pbe

true

f93404d3815e50d5e9c38e835d00a994_121_Mn1Al2Cu1Te4

[ "Be", "Ir", "Sb", "Te" ]

5

A2BCD

BeIrSbTe2

Be1 Sb1 Te2 Ir1

4

[ 1, 1, 1 ]

3

[ [ 4.83060541, 0, 0 ], [ 0, 4.64092722, 0 ], [ 0, 0, 4.83060541 ] ]

agm001576445

[ [ 0, 2.32046361, 0 ], [ 2.415302705, 2.32046361, 2.415302705 ], [ 0, 0, 2.415302705 ], [ 2.415302705, 0, 0 ], [ 0, 0, 0 ] ]

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

[ "Sb", "Ir", "Te", "Te", "Be" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.2, 0.4 ]

[ [ 0.60618174, 0, 0 ], [ 0, 0.8328742, 0 ], [ 0, 0, 0.60618174 ] ]

-18.512195

[ 0, 0, 0, 0, 0 ]

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

0

1.709938

pbe

true

388887d43452dfa9073da130296aad8e_123_Be1Sb1Te2Ir1

[ "Cd", "Co", "Mg", "Zn" ]

4

ABCD

CdCoMgZn

Mg1 Zn1 Cd1 Co1

4

[ 1, 1, 1 ]

3

[ [ 4.46571043, 0, 0 ], [ 2.23285522, 3.86741868, 0 ], [ 2.23285522, 1.28913956, 3.6462373 ] ]

agm001914687

[ [ 6.698565652499999, 3.86741868, 2.7346779750000003 ], [ 4.465710434999999, 2.57827912, 1.82311865 ], [ 0, 0, 0 ], [ 2.2328552174999996, 1.28913956, 0.911559325 ] ]

[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]

[ "Zn", "Co", "Mg", "Cd" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 5.6845436, 0, 0 ], [ 0, 5.6845436, 0 ], [ 0, 0, 5.6845436 ] ]

-10.427367

[ -0.007, 0.244, -0.001, -0.005 ]

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

0.220042

3.065458

pbe

true

b9a0bbb8221027f33013f92e87ef58c2_216_Mg1Zn1Cd1Co1

[ "Cl", "Fe", "Ir", "O" ]

5

A2BCD

ClFe2IrO

Fe2 Ir1 Cl1 O1

4

[ 1, 1, 1 ]

3

[ [ 4.60959327, 0, 0 ], [ 0, 4.30233891, 0 ], [ 0, 0, 4.60959327 ] ]

agm001431506

[ [ 0, 2.151169455, 0 ], [ 0, 0, 2.304796635 ], [ 2.304796635, 0, 0 ], [ 2.304796635, 2.151169455, 2.304796635 ], [ 0, 0, 0 ] ]

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

[ "Ir", "Fe", "Fe", "O", "Cl" ]

2023-11-16 06:57:59

[ 0.2, 0.4, 0.2, 0.2 ]

[ [ 0.2449125, 0, 0 ], [ 0, -3.5975144, 0 ], [ 0, 0, 0.2449125 ] ]

-19.956558

[ 0.472, 3.467, 3.493, 0.547, 0.03 ]

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

8.000753

1.227924

pbe

true

41b67f453614b6abd121f8474e4fbace_123_Fe2Ir1Cl1O1

[ "Cd", "Er", "Sr" ]

26

A10B2C

Cd10ErSr2

Sr4 Er2 Cd20

3

[ 1, 1, 1 ]

3

[ [ 6.38741277, -0.00147306, 0.00000322 ], [ -0.00285383, 9.26823313, 0 ], [ 0.00000985, 1e-8, 13.68622531 ] ]

agm005729352

[ [ 3.194266552260772, 1.8679055684139552, 12.420157602474076 ], [ 3.1903022377392283, 7.398854511586045, 1.2660709275259237 ], [ 3.192830147232553, 6.502022131737152, 8.109183583658591 ], [ 3.1917386427674472, 2.7647379482628485, 5.577044946341409 ], [ -0.00142199, 4.634116570000001, 6.843112655 ], [ 0, 0, 0 ], [ 6.386000747075701, 1.4091171281484651, 7.688790336792054 ], [ -0.0014319570757010997, 7.857642951851535, 5.9974381932079455 ], [ 6.384577539808959, 6.043233696912662, 12.840554067216637 ], [ -0.000008749808958099925, 3.223526383087339, 0.8456744627833634 ], [ -0.000814150655723, 7.995557540274576, 8.756506489245606 ], [ 6.385382940655722, 1.2712025397254252, 4.929722040754394 ], [ 1.781519725617437, 1.383315589321446, 2.3195734315776426 ], [ 1.780933861687647, 7.884529541311461, 11.368267007987201 ], [ 4.6022032144309515, 6.0163471067743215, 4.525169461173465 ], [ 4.604480780605903, 3.2493279225951497, 9.162701196191394 ], [ 4.603049064382563, 7.883444490678555, 11.366655098422356 ], [ 4.603634928312354, 1.3822305386885403, 2.3179615220127965 ], [ 1.7823655755690497, 3.250412973225678, 9.161059068826535 ], [ 1.7800880093940976, 6.017432157404851, 4.523527333808604 ], [ 6.382760011801106, 8.37715188161801, 3.093705334841603 ], [ 0.0018087781988931002, 0.8896081983819906, 10.592523195158396 ], [ 6.3842001735411325, 3.743035314150991, 3.7494137580726736 ], [ 0.0003686164588681001, 5.52372476584901, 9.936814771927326 ], [ 6.383928305150338, 5.905319108413752, 1.9133970525777104 ], [ 0.0006404848496620001, 3.361440971586248, 11.772831477422288 ] ]

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

[ "Sr", "Sr", "Sr", "Sr", "Er", "Er", "Cd", "Cd", "Cd", "Cd", "Cd", "Cd", "Cd", "Cd", "Cd", "Cd", "Cd", "Cd", "Cd", "Cd", "Cd", "Cd", "Cd", "Cd", "Cd", "Cd" ]

2023-11-16 06:57:59

[ 0.7692307692307693, 0.07692307692307693, 0.15384615384615385 ]

[ [ 4.231966, -0.00098447, 0.00000511 ], [ -0.0009843, 4.004131, 0 ], [ 0.00000511, 0, 4.1296735 ] ]

-36.327717

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

[ [ -0.00033593, -0.00019275, -0.00125107 ], [ 0.00033593, 0.00019275, 0.00125107 ], [ -0.00033593, -0.00019275, 0.00125107 ], [ 0.00033593, 0.00019275, -0.00125107 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00007801, -0.00550186, 0.00285966 ], [ -0.00007801, 0.00550186, -0.00285966 ], [ 0.00007801, -0.00550186, -0.00285966 ], [ -0.00007801, 0.00550186, 0.00285966 ], [ 0.00003061, -0.00133034, -0.00403798 ], [ -0.00003061, 0.00133034, 0.00403798 ], [ 0.00166312, -0.00154032, 0.00014874 ], [ 0.00108259, 0.00137707, -0.00036877 ], [ -0.00108259, -0.00137707, -0.00036877 ], [ -0.00166312, 0.00154032, 0.00014874 ], [ -0.00166312, 0.00154032, -0.00014874 ], [ -0.00108259, -0.00137707, 0.00036877 ], [ 0.00108259, 0.00137707, 0.00036877 ], [ 0.00166312, -0.00154032, -0.00014874 ], [ 0.00012287, 0.00348063, -0.00237762 ], [ -0.00012287, -0.00348063, 0.00237762 ], [ 0.00012287, 0.00348063, 0.00237762 ], [ -0.00012287, -0.00348063, -0.00237762 ], [ -0.00003062, 0.00133034, -0.00403798 ], [ 0.00003062, -0.00133034, 0.00403798 ] ]

0.000001

18.575163

pbe

true

0b7fba4949bd3fb28f86a61d2f17abcb_55_Sr4Er2Cd20

[ "I", "Tl" ]

8

AB

ITl

Tl4 I4

2

[ 1, 1, 1 ]

3

[ [ 8.84551128, 1e-8, 0 ], [ -4e-8, 8.85312747, 0 ], [ 0, 0, 17.66628535 ] ]

agm2000034227

[ [ 2.211377466179549, 2.4999996e-9, 10.166285263212936 ], [ 2.211377446179549, 4.4265637374999995, 7.500000086787064 ], [ 6.634133813820451, 7.5000004e-9, 7.500000086787064 ], [ 6.634133793820451, 4.426563742500001, 10.166285263212936 ], [ 4.422769428997596, 2.2132818725000156, 8.833142675 ], [ 8.845454815638034, 6.639845612499936, 8.833142675 ], [ 4.422741722547291, 6.639845607499985, 8.833142675 ], [ 0.000056424361966399996, 2.213281867500064, 8.833142675 ] ]

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

[ "Tl", "Tl", "Tl", "Tl", "I", "I", "I", "I" ]

2023-11-16 06:57:59

[ 0.5, 0.5 ]

[ [ 0.3906161, 0, 0 ], [ 0, 0.3664283, 0 ], [ 0, 0, -0.10688885 ] ]

-20.081086

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

[ [ 0, 0, -0.00336794 ], [ 0, 0, 0.00336794 ], [ 0, 0, 0.00336794 ], [ 0, 0, -0.00336794 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.000016

0

pbe

true

e021a7710d3361092e672b2de54623ba_129_Tl4I4

[ "Hf", "I", "Sb" ]

5

A3BC

HfISb3

Hf1 Sb3 I1

3

[ 1, 1, 1 ]

3

[ [ 5.58468665, 0, 0 ], [ 0, 5.58468665, 0 ], [ 0, 0, 5.58468665 ] ]

agm002587966

[ [ 0, 0, 0 ], [ 0, 2.792343325, 0 ], [ 0, 0, 2.792343325 ], [ 2.792343325, 0, 0 ], [ 2.792343325, 2.792343325, 2.792343325 ] ]

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

[ "I", "Sb", "Sb", "Sb", "Hf" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.6 ]

[ [ 1.5239493, 0, 0 ], [ 0, 1.5239493, 0 ], [ 0, 0, 1.5239493 ] ]

-16.980429

[ 0, 0, 0, 0, 0 ]

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

0

4.154582

pbe

true

937edeaeba4b294207da24cd62b9230d_221_Hf1Sb3I1

[ "Cr", "Pd", "Ti", "Zr" ]

5

A2BCD

CrPd2TiZr

Zr1 Ti1 Cr1 Pd2

4

[ 1, 1, 1 ]

3

[ [ 4.86194199, 0, 0 ], [ 0, 4.86194199, 0 ], [ 0, 0, 4.72210591 ] ]

agm001421001

[ [ 0, 0, 2.361052955 ], [ 0, 0, 0 ], [ 0, 2.430970995, 0 ], [ 2.430970995, 0, 0 ], [ 2.430970995, 2.430970995, 2.361052955 ] ]

[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]

[ "Cr", "Zr", "Pd", "Pd", "Ti" ]

2023-11-16 06:57:59

[ 0.2, 0.4, 0.2, 0.2 ]

[ [ 4.6962166, 0, 0 ], [ 0, 4.6962166, 0 ], [ 0, 0, 4.64061 ] ]

-31.376617

[ 2.93, -0.162, 0.058, 0.058, 1.207 ]

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

4.573594

7.690116

pbe

true

7d9307cab89f93c189bc64ec48e39079_123_Zr1Ti1Cr1Pd2

[ "Cu", "Ir", "Nd", "Pa" ]

4

ABCD

CuIrNdPa

Nd1 Pa1 Cu1 Ir1

4

[ 1, 1, 1 ]

3

[ [ 4.94949019, 0, 0 ], [ 2.47474509, 4.28638424, 0 ], [ 2.47474509, 1.42879475, 4.04124181 ] ]

agm001343442

[ [ 0, 0, 0 ], [ 4.949490185, 2.857589495, 2.020620905 ], [ 2.4747450925, 1.4287947475, 1.0103104525 ], [ 7.4242352775, 4.2863842425000005, 3.0309313575 ] ]

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

[ "Pa", "Nd", "Cu", "Ir" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ -1.7069166, 0, 0 ], [ 0, -1.7069166, 0 ], [ 0, 0, -1.7069166 ] ]

-28.286905

[ 0.121, 0.011, -0.002, -0.009 ]

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

0.145111

4.807691

pbe

true

5790b0ed1d7e8dfb61a3411079c6b310_216_Nd1Pa1Cu1Ir1

[ "Ga", "Ni", "Sm", "Sn" ]

9

A3B3C2D

Ga3NiSm3Sn2

Sm3 Ga3 Ni1 Sn2

4

[ 1, 1, 1 ]

3

[ [ 4.34926637, 0, 0 ], [ 0, 7.39254254, 0 ], [ 0, -3.69627128, 6.40212964 ] ]

agm002296925

[ [ 0, 0, 0 ], [ 2.174633185, 2.8884088538210726, 5.002870902793622 ], [ 2.174633185, 1.615724816729083, 0 ], [ 2.174633185, -0.807862410550156, 1.399258737206378 ], [ 2.174633185, -4.3629379400325113e-8, 4.268086448007099 ], [ 2.174633185, 3.6962713036293797, 2.1340431919929013 ], [ 0, -2.300525017199947, 3.984626204215534 ], [ 0, 4.60105002195208, 0 ], [ 0, 1.3957462552478677, 2.4175034357844662 ] ]

[{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]

[ "Ni", "Ga", "Ga", "Ga", "Sn", "Sn", "Sm", "Sm", "Sm" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.1111111111111111, 0.3333333333333333, 0.2222222222222222 ]

[ [ -0.5328136, 0, 0 ], [ 0, -0.6322635, 0 ], [ 0, 0, -0.6322635 ] ]

-42.592331

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

[ [ 0, 0, 0 ], [ 0, -0.00239574, -0.00414954 ], [ 0, 0.00479147, 0 ], [ 0, -0.00239574, 0.00414954 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, -0.00190776, 0.00330434 ], [ 0, 0.00381553, 0 ], [ 0, -0.00190776, -0.00330434 ] ]

0

5.714678

pbe

true

ab826c2217f411ef43c5554d33202e44_189_Sm3Ga3Ni1Sn2

[ "Hf", "K", "P", "Si" ]

5

A2BCD

HfKPSi2

K1 Hf1 Si2 P1

4

[ 1, 1, 1 ]

3

[ [ 5.05875593, 0, 0 ], [ 0, 6.92044066, 0 ], [ 0, 0, 5.05875593 ] ]

agm001566090

[ [ 2.529377965, 3.46022033, 2.529377965 ], [ 0, 3.46022033, 0 ], [ 0, 0, 0 ], [ 0, 0, 2.529377965 ], [ 2.529377965, 0, 0 ] ]

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

[ "P", "K", "Hf", "Si", "Si" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.2, 0.4 ]

[ [ -0.25345236, 0, 0 ], [ 0, 0.806845, 0 ], [ 0, 0, -0.25345236 ] ]

-21.106611

[ 0.865, 0.006, 0.058, 0.012, 0.029 ]

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

2.193157

4.338506

pbe

true

28a3b66780ff4cf9628fb2589487bdba_123_K1Hf1Si2P1

[ "K", "O", "S", "Sm" ]

10

A6B2CD

K2O6SSm

K2 Sm1 S1 O6

4

[ 1, 1, 1 ]

3

[ [ 5.75801933, 0, 0 ], [ 0, 6.18077972, 0 ], [ 0, -3.09038986, 5.35271225 ] ]

agm004964135

[ [ 0.5332596133030012, -3.0903898619305205e-8, 3.5684748511757074 ], [ 5.224759716696998, 3.0903898909038987, 1.7842373988242923 ], [ 2.879009665, 0, 0 ], [ 0, 0, 0 ], [ 4.768617141120301, 1.599443889553811e-17, 1.378244505396435 ], [ 4.768617141120301, -1.8967951050948049, 4.6635899973017825 ], [ 4.768617141120301, 1.896795105094804, 4.6635899973017825 ], [ 0.9894021888796989, 4.987184965094805, 0.6891222526982175 ], [ 0.9894021888796989, 1.1935947549051955, 0.6891222526982175 ], [ 0.9894021888796989, 3.0903898600000006, 3.9744677446035643 ] ]

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

[ "K", "K", "Sm", "S", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.2, 0.6, 0.1, 0.1 ]

[ [ 0.28373027, 0, 0 ], [ 0, 0.54226303, 0 ], [ 0, 0, 0.54226303 ] ]

-56.614025

[ -0.002, -0.002, -0.025, -0.014, 0.154, 0.154, 0.154, 0.154, 0.154, 0.154 ]

[ [ -0.00251954, 0, 0 ], [ 0.00251954, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00147749, 0, -0.00544663 ], [ 0.00147749, -0.00471692, 0.00272332 ], [ 0.00147749, 0.00471692, 0.00272332 ], [ -0.00147749, 0.00471692, -0.00272332 ], [ -0.00147749, -0.00471692, -0.00272332 ], [ -0.00147749, 0, 0.00544663 ] ]

1.032852

1.336806

pbe

true

e683b3b1f08bc07ca6c559d0c9735af4_164_K2Sm1S1O6

[ "Sm", "Sn", "Tl" ]

4

A2BC

Sm2SnTl

Sm2 Tl1 Sn1

3

[ 1, 1, 1 ]

3

[ [ 3.96476286, 0, 0 ], [ 1.98238143, 3.43358536, 0 ], [ 1.98238143, 1.14452846, 9.14004174 ] ]

agm001940618

[ [ 3.96476286, 2.2890569100000002, 4.57002087 ], [ 0, 0, 0 ], [ 5.94714230761857, 3.4335842205256646, 6.929227056231128 ], [ 1.98238341238143, 1.1445295994743356, 2.2108146837688714 ] ]

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

[ "Tl", "Sn", "Sm", "Sm" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 2.1669462, 0, 0 ], [ 0, 2.1669462, 0 ], [ 0, 0, 2.0872664 ] ]

-17.383555

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00191499 ], [ 0, 0, -0.00191499 ] ]

-0

2.82801

pbe

true

cded3244e1c7ef98d19ab1cceeb2d76c_166_Sm2Tl1Sn1

[ "Al", "Os", "Ru", "V" ]

4

ABCD

AlOsRuV

Al1 Os1 Ru1 V1

4

[ 1, 1, 1 ]

3

[ [ 0, 3.005158532, 3.005158532 ], [ 3.005158532, 0, 3.005158532 ], [ 3.005158532, 3.005158532, 0 ] ]

oqmd-9400271

[ [ 3.0051599999999996, 3.0051599999999996, 3.0051599999999996 ], [ 1.5025799999999998, 1.5025799999999998, 1.5025799999999998 ], [ 4.50774, 4.50774, 4.50774 ], [ 0, 0, 0 ] ]

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

[ "Al", "Os", "Ru", "V" ]

2024-11-01 00:00:00

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 2.97137202, 0, 0 ], [ 0, 2.97137202, 0 ], [ 0, 0, 2.97137202 ] ]

-35.315

[ 0, 0, 0, 0.001 ]

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

-0.000823

null

pbe

false

39cb5102c97626a7f202a4fc98d17b6d_216_Al1V1Os1Ru1

[ "As", "Na", "O", "Rh" ]

16

A8B4C3D

AsNa4O8Rh3

Na4 As1 Rh3 O8

4

[ 1, 1, 1 ]

3

[ [ 6.35086133, 0, 0 ], [ 0, 6.44453902, 0.06129816 ], [ -3.17543066, -3.17170261, 4.4936313 ] ]

agm004713386

[ [ 3.175430665, 0, 0 ], [ 1.587715335, -1.585851305, 2.24681565 ], [ 0, 0, 0 ], [ -1.58771533, -1.585851305, 2.24681565 ], [ 0, 3.22226951, 0.03064908 ], [ 3.175430665, 3.22226951, 0.03064908 ], [ 1.587715335, 1.6364182049999998, 2.2774647299999997 ], [ -1.58771533, 1.6364182049999998, 2.2774647299999997 ], [ -1.546645768139031, 1.4931378361175152, 4.391398743172026 ], [ 2.40273639552811e-9, 3.0379810274792303, 2.2027956027644313 ], [ -2.9063580601952788e-8, 0.27284532551296625, 2.437056007767839 ], [ 1.5466457778149607, 1.4931378361175152, 4.391398743172026 ], [ 1.6287848921850392, 1.7796985738824838, 0.163530716827974 ], [ 3.1754306990635808, 2.999991084487034, 2.1178734522321605 ], [ 3.1754306675972637, 0.23485538252076946, 2.352133857235568 ], [ 4.722076438139031, 1.7796985738824838, 0.163530716827974 ] ]

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

[ "Na", "Na", "Na", "Na", "As", "Rh", "Rh", "Rh", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.0625, 0.25, 0.5, 0.1875 ]

[ [ 1.0584526, 0, 0 ], [ 0, 1.1089478, -0.00474679 ], [ 0, -0.00474883, 0.92197025 ] ]

-89.298051

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

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00030363, 0.00296994, 0.00103985 ], [ 0, 0.00223257, 0.0015196 ], [ 0, -0.00219475, -0.00138347 ], [ -0.00030363, 0.00296994, 0.00103985 ], [ 0.00030363, -0.00296994, -0.00103985 ], [ 0, 0.00219475, 0.00138347 ], [ 0, -0.00223257, -0.0015196 ], [ -0.00030363, -0.00296994, -0.00103985 ] ]

0

1.677614

pbe

true

7b951f4d014509648c97791abd8cf67e_166_Na4As1Rh3O8

[ "Au", "Ba", "H", "Rb" ]

11

A6B3CD

Au3BaH6Rb

Rb1 Ba1 H6 Au3

4

[ 1, 1, 1 ]

3

[ [ 6.39299343, -0.97864896, 0.98466056 ], [ -0.93971923, 6.39883165, -0.98466055 ], [ 0.93971922, -0.94545644, 6.40474161 ] ]

agm004917388

[ [ 3.0672820685532693, 2.3673666526566652, 3.0715687039792448 ], [ -0.7915677511151672, 6.249775670995327, -0.8346889583037568 ], [ 1.7801144244609526, 2.2365987092872577, 0.2530739718179914 ], [ 3.20588206822387, 5.1779310968740315, 1.7679848420757582 ], [ 0.8798295105360787, 0.25492641969603447, 2.73406145265263 ], [ 5.192997329230486, 2.691550871894054, 0.8949881735089674 ], [ 2.730165469112462, 4.5569116613463585, 5.1819024753219995 ], [ 0.2559260797319256, 3.671670063464827, 3.185074081338615 ], [ 2.412087894005968, 5.296361287477629, 0.3073085709580612 ], [ 0.32504934716562656, 3.0392641543148478, 0.12570100049971608 ], [ 0.14232959275032692, 5.127453522171216, 2.3816436701059733 ] ]

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

[ "Rb", "Ba", "H", "H", "H", "H", "H", "H", "Au", "Au", "Au" ]

2023-11-16 06:57:59

[ 0.2727272727272727, 0.09090909090909091, 0.5454545454545454, 0.09090909090909091 ]

[ [ 6.10812, 0.26004905, -0.26164642 ], [ 0.26004902, 6.1049542, 0.26324388 ], [ -0.26164645, 0.26324385, 6.1017303 ] ]

-35.453013

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

[ [ 0.00078929, -0.00079411, 0.00079899 ], [ 0.00050937, -0.00051248, 0.00051562 ], [ -0.03477184, 0.01374948, -0.00259674 ], [ -0.01353759, 0.00238325, -0.03487013 ], [ 0.00451308, -0.03406407, 0.00867123 ], [ 0.03403597, -0.00864216, 0.00477334 ], [ 0.00843484, -0.0045645, 0.03411653 ], [ -0.00230081, 0.03478649, -0.01376513 ], [ 0.00518547, -0.00014879, -0.00294263 ], [ -0.00297499, -0.00516745, 0.00013076 ], [ 0.00011722, 0.00297434, 0.00516816 ] ]

0

pbe

true

3e363d78325111816bc718cfd62cb645_146_Rb1Ba1H6Au3

[ "C", "Mo", "V" ]

8

A2BC

CMoV2

V4 Mo2 C2

3

[ 1, 1, 1 ]

3

[ [ 6.85157354, 0, 0 ], [ 0, 6.85157354, 0 ], [ 3.42578677, 3.42578677, 2.17762233 ] ]

agm002805015

[ [ 0, 0, 0 ], [ 6.85157354, 3.42578677, 1.088811165 ], [ 3.42578677, 3.42578677, 0 ], [ 3.42578677, 6.85157354, 1.088811165 ], [ 4.367928285268313, 1.712893385, 0.5444055825 ], [ 2.4836452547316874, 5.138680155000001, 0.5444055825 ], [ 5.138680155, 5.909432024731688, 1.6332167475000001 ], [ 8.564466925, 7.793715055268313, 1.6332167475000001 ] ]

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

[ "Mo", "Mo", "C", "C", "V", "V", "V", "V" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 0.70005995, 0, 0 ], [ 0, 0.70005995, 0 ], [ 0, 0, 0.8082877 ] ]

-76.059472

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

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00170635, 0, 0 ], [ 0.00170635, 0, 0 ], [ 0, 0.00170635, 0 ], [ 0, -0.00170635, 0 ] ]

-0.000005

5.4742

pbe

true

7fdb656dc02c870c55e64ca3976b03c0_122_V4Mo2C2

[ "Mg", "Si" ]

12

A2B

MgSi2

Mg4 Si8

2

[ 1, 1, 1 ]

3

[ [ 1.82561973, 4.73611011, -0.5296412 ], [ -1.82561973, 4.73611011, -0.5296412 ], [ 0, 2.02732564, 12.59918112 ] ]

agm005271772

[ [ 1.36359314138474e-17, 9.137024883434538, 9.37053626787771 ], [ -8.795906643988617e-18, 2.362520976565463, 2.169362452122291 ], [ 4.7524828616735705e-17, 6.662058277267895, 4.439949328106087 ], [ -4.7524828616735705e-17, 4.837487582732105, 7.099949391893913 ], [ -7.348902238299217e-17, 9.058431530726983, 0.1840830840945585 ], [ -7.399414259388947e-19, 2.4411143292730166, 11.355815635905444 ], [ -9.338855811411762e-18, 2.1174354900072867, 8.954230807343615 ], [ -4.3752283034916674e-17, 9.382110369992715, 2.585667912656386 ], [ 2.947341545520175e-17, 5.294384171534533, 11.955509652238145 ], [ -3.9153464994919314e-17, 6.205161688465466, -0.41561093223814405 ], [ 1.5113596359883277e-17, 3.9561880550741777, 4.4809981290344645 ], [ 8.622865656291481e-17, 7.543357804925822, 7.0589005909655365 ] ]

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

[ "Mg", "Mg", "Mg", "Mg", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.6666666666666666 ]

[ [ 0.5236507, 0, 0 ], [ 0, 0.31265044, 0.08315217 ], [ 0, 0.08315219, 0.5508425 ] ]

-47.696736

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

[ [ 0, -0.00422244, -0.00102136 ], [ 0, 0.00422244, 0.00102136 ], [ 0, 0.00745751, -0.0151356 ], [ 0, -0.00745751, 0.0151356 ], [ 0, 0.00063844, -0.00475516 ], [ 0, -0.00063844, 0.00475516 ], [ 0, -0.00222331, -0.00042338 ], [ 0, 0.00222331, 0.00042338 ], [ 0, -0.00065009, -0.00131338 ], [ 0, 0.00065009, 0.00131338 ], [ 0, 0.00279885, -0.0025397 ], [ 0, -0.00279885, 0.0025397 ] ]

0

3.123725

pbe

true

8853843a4834c1065010f8332690fd56_12_Mg4Si8

[ "Cu", "Se", "W" ]

4

A2BC

CuSe2W

Cu1 W1 Se2

3

[ 1, 1, 1 ]

3

[ [ 4.33029854, 0, 0 ], [ 0, 2.6454328, -0.01577909 ], [ 0, -2.39761857, 6.24327803 ] ]

agm004335491

[ [ 2.16514927, 0.18586067249999993, 4.670624205 ], [ 0, 0.017768953467865, 0.028516786865608903 ], [ 0, 0.10613816153213493, 3.085232683134391 ], [ 2.16514927, 0.06195355749999998, 1.556874735 ] ]

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

[ "Cu", "Se", "Se", "W" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ -2.2436557, 0, 0 ], [ 0, -1.7164216, -0.06223224 ], [ 0, -0.06223164, -1.5579356 ] ]

-21.872261

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0.00354084, -0.00269024 ], [ 0, -0.00354084, 0.00269024 ], [ 0, 0, 0 ] ]

0.000005

1.585165

pbe

true

752ddf86ef96db7dc72b479261018bda_10_Cu1W1Se2

[ "Eu", "Na", "Nd" ]

4

A2BC

EuNaNd2

Na1 Nd2 Eu1

3

[ 1, 1, 1 ]

3

[ [ 3.62239951, 0, 0 ], [ 1.81119975, 3.13708999, 0 ], [ 1.81119975, 1.04569666, 13.23279075 ] ]

agm002006879

[ [ 3.622399505, 2.0913933250000003, 6.616395375 ], [ 0, 0, 0 ], [ 1.8112015620914574, 1.0456977065883672, 9.69287154643023 ], [ 5.433597447908543, 3.137088943411633, 3.53991920356977 ] ]

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

[ "Eu", "Na", "Nd", "Nd" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 1.0145496, 0, 0 ], [ 0, 1.0145496, 0 ], [ 0, 0, 1.0385718 ] ]

-20.328945

[ -7.043, -0.002, -0.084, -0.084 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.00108953 ], [ 0, 0, 0.00108953 ] ]

-7.972562

4.532057

pbe

true

d801735ff6e1ed2db985107d2c18785f_166_Na1Nd2Eu1

[ "Be", "Cu", "Sb" ]

3

ABC

BeCuSb

Be1 Cu1 Sb1

3

[ 1, 1, 1 ]

3

[ [ 3.8786453, 0, 0 ], [ -1.93932265, 3.35900536, 0 ], [ 0, 0, 3.65667015 ] ]

agm004112920

[ [ -1.9393226585933916e-8, 2.2393369178633513, 2.437217021552502 ], [ 1.9393226693932266, 1.1196684421366487, 0.6111614050239076 ], [ 0, 0, 0.6082917234235905 ] ]

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

[ "Sb", "Cu", "Be" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ -3.5211594, 0, 0 ], [ 0, -3.5211594, 0 ], [ 0, 0, -3.2296026 ] ]

-11.056193

[ 0, 0, 0 ]

[ [ 0, 0, -0.00209505 ], [ 0, 0, -0.00417789 ], [ 0, 0, 0.00627294 ] ]

-0.000005

1.056686

pbe

true

3472eda034d2ec790064a671b2b01ecd_187_Be1Cu1Sb1

[ "Be", "Pd", "Ti" ]

10

A2B2C

Be2PdTi2

Ti4 Be4 Pd2

3

[ 1, 1, 1 ]

3

[ [ 7.22002552, 0, 0 ], [ 0, 7.22002552, 0 ], [ 0, 0, 2.63785614 ] ]

agm002961943

[ [ 1.2057278001818144, 4.815740560181815, 1.31892807 ], [ 4.815740560181815, 6.0142977198181855, 1.31892807 ], [ 6.0142977198181855, 2.4042849598181855, 1.31892807 ], [ 2.4042849598181855, 1.2057278001818144, 1.31892807 ], [ 0, 0, 0 ], [ 3.61001276, 3.61001276, 0 ], [ 2.6573432442814258, 6.267356004281426, 0 ], [ 6.267356004281426, 4.562682275718574, 0 ], [ 4.562682275718574, 0.9526695157185745, 0 ], [ 0.9526695157185745, 2.6573432442814258, 0 ] ]

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

[ "Be", "Be", "Be", "Be", "Pd", "Pd", "Ti", "Ti", "Ti", "Ti" ]

2023-11-16 06:57:59

[ 0.4, 0.2, 0.4 ]

[ [ 1.3540182, 0, 0 ], [ 0, 1.3540182, 0 ], [ 0, 0, -0.1410193 ] ]

-55.20237

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

[ [ -0.00767946, -0.00767946, 0 ], [ -0.00767946, 0.00767946, 0 ], [ 0.00767946, 0.00767946, 0 ], [ 0.00767946, -0.00767946, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00336145, -0.00336145, 0 ], [ -0.00336145, 0.00336145, 0 ], [ 0.00336145, 0.00336145, 0 ], [ 0.00336145, -0.00336145, 0 ] ]

0

7.993625

pbe

true

0191d7884b88bff30ff5da2ff74148c6_127_Ti4Be4Pd2

[ "Cd", "Cs", "O" ]

10

A3BC

CdCs3O

Cs6 Cd2 O2

3

[ 1, 1, 1 ]

3

[ [ 6.94682503, 0, 0 ], [ 0, 11.04954933, 0 ], [ 0, -5.52477466, 8.0538687 ] ]

agm003724700

[ [ 5.816988058065527, -0.0000055233886612745045, 2.2325390078123344 ], [ 2.343575543065527, 5.524780193388659, 5.821329692187667 ], [ 2.2164034211855816, 3.4250861543024125, 2.1282998792340964 ], [ 5.689815936185582, -2.0996995578894984, 5.925568820765905 ], [ 5.689815936185582, 2.099688515697587, 5.925568820765905 ], [ 2.2164034211855816, 7.624474227889498, 2.1282998792340964 ], [ 2.150083124647926, -0.000005521700337559959, 4.952046810546721 ], [ 5.623495639647926, 5.524780191700337, 3.10182188945328 ], [ 0.0026151322825435004, 5.816572041981816e-8, 4.700195329431951 ], [ 3.4760276472825433, 5.52477461183428, 3.3536733705680493 ] ]

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

[ "Cs", "Cs", "Cs", "Cs", "Cs", "Cs", "Cd", "Cd", "O", "O" ]

2023-11-16 06:57:59

[ 0.2, 0.6, 0.2 ]

[ [ 0.08548008, 0, 0 ], [ 0, 0.19947685, 0 ], [ 0, 0, 0.132966 ] ]

-22.565936

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

[ [ -0.0011365, 0, -0.00439215 ], [ -0.0011365, 0, 0.00439215 ], [ 0.00174652, 0.00095353, 0.00357212 ], [ 0.00174652, 0.00095353, -0.00357212 ], [ 0.00174652, -0.00095353, -0.00357212 ], [ 0.00174652, -0.00095353, 0.00357212 ], [ -0.00072248, 0, -0.00415408 ], [ -0.00072248, 0, 0.00415408 ], [ -0.00163405, 0, 0.00091259 ], [ -0.00163405, 0, -0.00091259 ] ]

0

5.817472

pbe

true

e0a06f15bc698622d93db289ff63a14b_36_Cs6Cd2O2

[ "Cd", "O", "Y" ]

5

A3BC

CdOY3

Y3 Cd1 O1

3

[ 1, 1, 1 ]

3

[ [ 4.52126068, 0, 0 ], [ 0, 4.52126068, 0 ], [ 0, 0, 8.45960096 ] ]

agm003131755

[ [ 0, 0, 8.35553509419455 ], [ 2.26063034, 0, 5.487910558254998 ], [ 0, 2.26063034, 5.487910558254998 ], [ 2.26063034, 2.26063034, 5.227477005324861 ], [ 0, 0, 3.051020140555382 ] ]

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

[ "Y", "Y", "Y", "O", "Cd" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.6 ]

[ [ -0.12856087, 0, 0 ], [ 0, -0.12856087, 0 ], [ 0, 0, 0.735613 ] ]

-28.293392

[ 0.326, 0.039, 0.052, 0.02, -0.001 ]

[ [ 0, 0, 0.02970228 ], [ 0, 0, -0.00619776 ], [ 0, 0, -0.00619776 ], [ 0, 0, -0.02843497 ], [ 0, 0, 0.0111282 ] ]

1.039009

2.40775

pbe

true

d88ab1bc303cedfee556d06eb6a9f9fe_99_Y3Cd1O1

[ "Cu", "Dy", "Pd", "Si" ]

12

A6B3C2D

Cu2Dy3PdSi6

Dy3 Cu2 Si6 Pd1

4

[ 1, 1, 1 ]

3

[ [ 5.7327431, 0, 0 ], [ -2.86637155, 4.96470116, 0 ], [ 0, 0, 7.80478887 ] ]

agm004665262

[ [ -2.8663715704202423e-8, 3.309800789882337, 4.816633354611834 ], [ 2.8663715786637156, 1.6549003701176626, 2.988155515388166 ], [ 0, 0, 0 ], [ 2.8663715786637156, 1.6549003701176626, 7.669430026388147 ], [ -2.8663715704202423e-8, 3.309800789882337, 0.1353588436118535 ], [ 1.220826539806934, 4.01464199521214, 2.169800534337277 ], [ -2.0088897089941324e-17, 1.900108400173399, 2.169800534337277 ], [ -1.2208265398069336, 4.01464199521214, 2.169800534337277 ], [ 2.8663715500000007, 3.0645927598266005, 5.634988335662723 ], [ 1.6455450101930666, 0.9500591647878596, 5.634988335662723 ], [ 4.087198089806934, 0.9500591647878596, 5.634988335662723 ], [ 0, 0, 3.902394435 ] ]

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

[ "Dy", "Dy", "Dy", "Cu", "Cu", "Si", "Si", "Si", "Si", "Si", "Si", "Pd" ]

2023-11-16 06:57:59

[ 0.16666666666666666, 0.25, 0.08333333333333333, 0.5 ]

[ [ -1.3401103, 0, 0 ], [ 0, -1.3401103, 0 ], [ 0, 0, -1.9210721 ] ]

-63.761428

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

[ [ 0, 0, 0.00213434 ], [ 0, 0, -0.00213434 ], [ 0, 0, 0 ], [ 0, 0, 0.01882696 ], [ 0, 0, -0.01882696 ], [ 0.00094869, 0.00054772, 0.00228763 ], [ 0, -0.00109545, 0.00228763 ], [ -0.00094869, 0.00054772, 0.00228763 ], [ 0, 0.00109545, -0.00228763 ], [ -0.00094869, -0.00054772, -0.00228763 ], [ 0.00094869, -0.00054772, -0.00228763 ], [ 0, 0, 0 ] ]

-0.000012

6.766248

pbe

true

b851ad551211d5a69f4e3dd056241fd3_164_Dy3Cu2Si6Pd1

[ "Fe", "Nb", "Ru", "Zn" ]

4

ABCD

FeNbRuZn

Fe1 Nb1 Ru1 Zn1

4

[ 1, 1, 1 ]

3

[ [ 0, 3.038059, 3.038059 ], [ 3.038059, 0, 3.038059 ], [ 3.038059, 3.038059, 0 ] ]

oqmd-2633752

[ [ 4.557080000000003, 4.557080000000003, 4.557080000000003 ], [ 3.0380600000000024, 3.0380600000000024, 3.0380600000000024 ], [ 1.5190200000000005, 1.5190200000000005, 1.5190200000000005 ], [ 0, 0, 0 ] ]

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

[ "Fe", "Nb", "Ru", "Zn" ]

2024-11-01 00:00:00

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 15.93526, 0, 0 ], [ 0, 15.93526, 0 ], [ 0, 0, 15.93526 ] ]

-29.3461

[ 0, 0, 0, 0 ]

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

0.824551

null

pbe

false

b2ecba9f6db19e5c330b595350a8a617_216_Nb1Zn1Fe1Ru1

[ "N", "O", "Te", "Y" ]

5

A2BCD

NOTe2Y

Y1 Te2 N1 O1

4

[ 1, 1, 1 ]

3

[ [ 5.99861873, 0, 0 ], [ 0, 5.99861873, 0 ], [ 0, 0, 4.36838811 ] ]

agm001804063

[ [ 0, 0, 0 ], [ 0, 2.999309365, 0 ], [ 2.999309365, 0, 0 ], [ 2.999309365, 2.999309365, 2.184194055 ], [ 0, 0, 2.184194055 ] ]

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

[ "Y", "Te", "Te", "O", "N" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.4, 0.2 ]

[ [ 0.3574895, 0, 0 ], [ 0, 0.3574895, 0 ], [ 0, 0, 0.25358936 ] ]

-21.900378

[ 0.044, 0.405, 0.405, 1.335, 1.021 ]

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

4.616229

8.477472

pbe

true

f6559b58e636b3a36db90ce8fdf0eb17_123_Y1Te2N1O1

[ "Cr", "La" ]

4

AB

CrLa

La2 Cr2

2

[ 1, 1, 1 ]

3

[ [ 3.13576485, -0.00231851, 0 ], [ 0.00137299, 3.13576541, 0 ], [ 0, 0, 9.02214561 ] ]

agm004338200

[ [ 0, 0, 8.361788518360376 ], [ 1.5685689200000001, 1.56672345, 7.426966299139626 ], [ 0, 0, 5.109806206144011 ], [ 1.5685689200000001, 1.56672345, 1.6568030013559898 ] ]

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

[ "Cr", "Cr", "La", "La" ]

2023-11-16 06:57:59

[ 0.5, 0.5 ]

[ [ 1.6653831, 0.15770838, 0 ], [ 0.15770838, 1.6650118, 0 ], [ 0, 0, 1.4185529 ] ]

-27.327736

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0.00780967 ], [ 0, 0, -0.00780967 ], [ 0, 0, -0.00901592 ], [ 0, 0, 0.00901592 ] ]

0.000088

4.928345

pbe

true

c45af7111890b478177ca15cb5051df2_129_La2Cr2

[ "F", "Ge", "Li", "P", "Tl" ]

5

ABCDE

FGeLiPTl

Li1 Tl1 Ge1 P1 F1

5

[ 1, 1, 1 ]

3

[ [ 5.83126148, 0, -0.00825365 ], [ 0, 3.52138235, 0 ], [ -2.83322729, 0, 5.45243104 ] ]

agm002093287

[ [ -2.60213374524541, 0, 5.351189167690691 ], [ 0.4714444314731773, 1.760691175, 3.4790206261063052 ], [ 3.497903581185141, 1.760691175, 1.303616140065298 ], [ 3.838345482147167, 0, 2.808779550167227 ], [ -0.1767732797841746, 1.760691175, 0.4209738874179772 ] ]

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

[ "Li", "Tl", "Ge", "P", "F" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.2, 0.2, 0.2 ]

[ [ 0.60321593, 0, -0.03670108 ], [ 0, 0.6500786, 0 ], [ -0.036701, 0, 0.5472776 ] ]

-20.726545

[ 0, 0, 0, 0, 0 ]

[ [ -0.00086626, 0, 0.00139208 ], [ 0.00053475, 0, -0.0015237 ], [ -0.00361901, 0, -0.00337598 ], [ 0.00324925, 0, -0.00009723 ], [ 0.00070127, 0, 0.00360482 ] ]

0

0.129502

pbe

true

3b7019994e9e62a2f21431775f34e80c_6_Li1Tl1Ge1P1F1

[ "Ba", "Mg" ]

9

A5B4

Ba4Mg5

Ba4 Mg5

2

[ 1, 1, 1 ]

3

[ [ -5.66325874, 5.66325874, 2.83007021 ], [ 5.66325874, -5.66325874, 2.83007021 ], [ 5.66325874, 5.66325874, -2.83007021 ] ]

agm005500791

[ [ 3.4593333024285955, 7.455700988196838e-17, -1.7866746294156146e-17 ], [ 7.867184177571405, 1.7772397570882952e-17, 8.281089579679985e-17 ], [ 7.455700988196838e-17, 3.4593333024285955, -1.7866746294156146e-17 ], [ 1.7772397570882952e-17, 7.867184177571405, 8.281089579679985e-17 ], [ 0, 0, 0 ], [ 4.075940815579798, 4.075940815579798, 2.8300701742413142e-8 ], [ 1.5873178677876154, -1.5873178677876154, 2.83007021 ], [ -1.5873178677876154, 1.5873178677876154, 2.83007021 ], [ 1.5873179244202025, 1.587317924420203, 2.8300701816992984 ] ]

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

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

2023-11-16 06:57:59

[ 0.4444444444444444, 0.5555555555555556 ]

[ [ -0.21809372, 0, 0 ], [ 0, -0.21809372, 0 ], [ 0, 0, -0.01767279 ] ]

-15.220544

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

[ [ -0.00106101, 0, 0 ], [ 0.00106101, 0, 0 ], [ 0, -0.00106101, 0 ], [ 0, 0.00106101, 0 ], [ 0, 0, 0 ], [ -0.0014177, -0.0014177, 0 ], [ 0.0014177, -0.0014177, 0 ], [ -0.0014177, 0.0014177, 0 ], [ 0.0014177, 0.0014177, 0 ] ]

0.004358

10.498631

pbe

true

55d682df4105ca3d064088c193947b9b_139_Ba4Mg5

[ "Dy", "Th" ]

8

A3B

Dy3Th

Dy6 Th2

2

[ 1, 1, 1 ]

3

[ [ 5.73688683, 0, 0 ], [ 0, 7.19656452, 0 ], [ 0, 0, 6.22752476 ] ]

agm003296092

[ [ 2.868443415, 0, 2.1241835987112174 ], [ 0, 3.59828226, 4.103341161288783 ], [ 0, 5.403806454866659, 1.0305374607362932 ], [ 0, 1.7927580651333408, 1.0305374607362932 ], [ 2.868443415, 1.8055241948666592, 5.196987299263706 ], [ 2.868443415, 5.391040325133341, 5.196987299263706 ], [ 0, 0, 4.19050427566539 ], [ 2.868443415, 3.59828226, 2.0370204843346102 ] ]

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

[ "Dy", "Dy", "Dy", "Dy", "Dy", "Dy", "Th", "Th" ]

2023-11-16 06:57:59

[ 0.75, 0.25 ]

[ [ 0.24245816, 0, 0 ], [ 0, 0.27856117, 0 ], [ 0, 0, 0.28575212 ] ]

-42.027914

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

[ [ 0, 0, -0.00417011 ], [ 0, 0, 0.00417011 ], [ 0, -0.00005916, 0.00193561 ], [ 0, 0.00005916, 0.00193561 ], [ 0, -0.00005916, -0.00193561 ], [ 0, 0.00005916, -0.00193561 ], [ 0, 0, -0.00152272 ], [ 0, 0, 0.00152272 ] ]

-0.000032

13.413916

pbe

true

a801157444972a11eb3bb4f9cba5f9dc_59_Dy6Th2

[ "Al", "La", "Pd", "Si" ]

10

A4B3C2D

AlLa2Pd4Si3

La2 Al1 Si3 Pd4

4

[ 1, 1, 1 ]

3

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agm004522620

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

[ "La", "La", "Al", "Si", "Si", "Si", "Pd", "Pd", "Pd", "Pd" ]

2023-11-16 06:57:59

[ 0.1, 0.2, 0.4, 0.3 ]

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5.245916

pbe

true

23e0f39dc5170f80ec33ede2d6e192df_115_La2Al1Si3Pd4

[ "B", "Cu", "La", "V" ]

5

A2BCD

B2CuLaV

La1 V1 Cu1 B2

4

[ 1, 1, 1 ]

3

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agm001439283

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

[ "B", "B", "V", "Cu", "La" ]

2023-11-16 06:57:59

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748423165e8ce61a0299763d0d8e326b_123_La1V1Cu1B2