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{
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"results": [
{
"id": "mp-1078819",
"created_at": "2022-09-04T14:48:15.222010Z",
"structure_string": "Tm2 Sn6\n1.0\n2.205314 -11.010019 0.000000\n2.205314 11.010019 0.000000\n0.000000 0.000000 4.427041\nTm Sn\n2 6\ndirect\n0.482129 0.517871 0.500000 Tm\n0.212865 0.787135 0.000000 Tm\n0.098942 0.901058 0.500000 Sn\n0.728109 0.271891 0.500000 Sn\n0.864713 0.135287 0.500000 Sn\n0.976230 0.023770 0.000000 Sn\n0.362713 0.637287 0.000000 Sn\n0.600298 0.399702 0.000000 Sn\n",
"nsites": 8,
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"elements": [
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"density": 8.111281371180619,
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"volume": 214.98197221373434,
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"spacegroup": 38
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{
"id": "mp-999389",
"created_at": "2022-09-04T14:48:15.225631Z",
"structure_string": "Nb1 Fe3\n1.0\n2.958791 2.958791 0.000000\n2.958791 0.000000 -2.958791\n0.000000 2.958791 -2.958791\nNb Fe\n1 3\ndirect\n0.000000 0.000000 0.000000 Nb\n0.250000 0.250000 0.250000 Fe\n0.750000 0.750000 0.750000 Fe\n0.500000 0.500000 0.500000 Fe\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Fe-Nb",
"density": 8.348072703157365,
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"volume": 51.805141309520224,
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"formula_full": "Nb1 Fe3",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:38:40.346000Z",
"spacegroup": 225
},
{
"id": "mp-558500",
"created_at": "2022-09-04T14:48:15.226931Z",
"structure_string": "K4 Ag4 Ge2 S8\n1.0\n0.000000 6.813274 10.660459\n3.210489 0.000000 10.660459\n3.210489 6.813274 0.000000\nK Ag Ge S\n4 4 2 8\ndirect\n0.312903 0.312903 0.687097 K\n0.687097 0.687097 0.312903 K\n0.562903 0.562903 0.937097 K\n0.937097 0.937097 0.562903 K\n0.175234 0.175234 0.324766 Ag\n0.925234 0.925234 0.074766 Ag\n0.074766 0.074766 0.925234 Ag\n0.324766 0.324766 0.175234 Ag\n0.500000 0.500000 0.500000 Ge\n0.750000 0.750000 0.750000 Ge\n0.902011 0.719288 0.395680 S\n0.983022 0.395680 0.719288 S\n0.530712 0.347989 0.266978 S\n0.395680 0.983022 0.902011 S\n0.266978 0.854320 0.530712 S\n0.719288 0.902011 0.983022 S\n0.854320 0.266978 0.347989 S\n0.347989 0.530712 0.854320 S\n",
"nsites": 18,
"nelements": 4,
"elements": [
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"Ag",
"Ge",
"S"
],
"chemical_system": "Ag-Ge-K-S",
"density": 3.523747712574194,
"density_atomic": 0.03859575707696305,
"volume": 466.37250732267154,
"volume_molar": 15.603116031618105,
"formula_full": "K4 Ag4 Ge2 S8",
"formula_reduced": "K2Ag2GeS4",
"formula_anonymous": "AB2C2D4",
"energy": -74.19819373,
"energy_per_atom": -4.122121873888889,
"energy_above_hull": null,
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"energy_uncorrected": -70.17419373,
"band_gap": 1.6880000000000002,
"is_gap_direct": true,
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"updated_at": "2021-11-28T01:40:09.226000Z",
"spacegroup": 70
},
{
"id": "mp-779755",
"created_at": "2022-09-04T14:48:15.229938Z",
"structure_string": "Li10 Mn14 Fe6 O40\n1.0\n4.228663 -4.264184 0.014356\n-4.222841 0.020268 -4.178004\n12.554263 16.965090 -12.499937\nLi Mn Fe O\n10 14 6 40\ndirect\n0.845923 0.676130 0.027018 Li\n0.957823 0.732736 0.171311 Li\n0.647120 0.070261 0.227257 Li\n0.264960 0.884152 0.623940 Li\n0.464479 0.484549 0.426741 Li\n0.742118 0.125370 0.373224 Li\n0.538546 0.512638 0.577225 Li\n0.335779 0.915417 0.776978 Li\n0.050928 0.288192 0.824016 Li\n0.155826 0.316997 0.973248 Li\n0.403757 0.702725 0.100092 Mn\n0.403547 0.202151 0.099491 Mn\n0.197392 0.599426 0.299390 Mn\n0.699699 0.600572 0.300175 Mn\n0.903403 0.203107 0.099649 Mn\n0.197853 0.099718 0.299297 Mn\n0.001775 0.000174 0.500629 Mn\n0.099490 0.799225 0.899128 Mn\n0.502193 0.000888 0.501320 Mn\n0.298019 0.398915 0.700363 Mn\n0.600441 0.801107 0.899771 Mn\n0.799563 0.400956 0.700960 Mn\n0.687125 0.599544 0.800306 Mn\n0.903550 0.200381 0.600653 Mn\n0.106638 0.805192 0.400600 Fe\n0.501699 0.995668 0.999457 Fe\n0.303101 0.402255 0.199646 Fe\n0.002544 0.502423 0.500150 Fe\n0.798584 0.900033 0.700584 Fe\n0.599812 0.298583 0.900589 Fe\n0.238112 0.865284 0.054221 O\n0.683963 0.866127 0.055913 O\n0.981868 0.765118 0.255447 O\n0.239942 0.369614 0.056033 O\n0.122991 0.539112 0.144551 O\n0.567453 0.535349 0.145486 O\n0.358753 0.933659 0.343911 O\n0.122519 0.085058 0.143409 O\n0.491195 0.718005 0.255513 O\n0.683842 0.318092 0.055019 O\n0.038645 0.266532 0.253528 O\n0.483786 0.265137 0.254950 O\n0.298598 0.674545 0.454683 O\n0.209861 0.860860 0.542693 O\n0.567680 0.036855 0.143898 O\n0.412996 0.433929 0.343275 O\n0.917589 0.937990 0.344803 O\n0.909270 0.483967 0.344896 O\n0.703126 0.883284 0.550458 O\n0.156604 0.318260 0.549828 O\n0.840683 0.679231 0.453509 O\n0.110007 0.517624 0.649385 O\n0.310416 0.128429 0.455068 O\n0.088674 0.071826 0.652522 O\n0.504400 0.725319 0.747955 O\n0.792970 0.140555 0.458817 O\n0.717720 0.326313 0.550348 O\n0.593290 0.536398 0.659759 O\n0.404580 0.940363 0.857769 O\n0.325913 0.672700 0.944843 O\n0.486708 0.281811 0.751894 O\n0.949842 0.724140 0.751241 O\n0.646594 0.078568 0.650998 O\n0.866673 0.917453 0.850709 O\n0.435882 0.478079 0.851542 O\n0.878990 0.478179 0.850106 O\n0.004808 0.263371 0.741608 O\n0.797199 0.660423 0.941819 O\n0.307162 0.121069 0.945851 O\n0.770717 0.126883 0.946596 O\n",
"nsites": 70,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-Li-Mn-O",
"density": 4.034881375093477,
"density_atomic": 0.09378662965800931,
"volume": 746.3750457315004,
"volume_molar": 6.421107978780761,
"formula_full": "Li10 Mn14 Fe6 O40",
"formula_reduced": "Li5Mn7Fe3O20",
"formula_anonymous": "A3B5C7D20",
"energy": -535.39076621,
"energy_per_atom": -7.6484395172857145,
"energy_above_hull": null,
"is_stable": null,
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"updated_at": "2021-11-28T01:38:32.698000Z",
"spacegroup": 1
},
{
"id": "mp-28969",
"created_at": "2022-09-04T14:48:15.231333Z",
"structure_string": "Pr4 N2 Cl6\n1.0\n-3.109687 3.459957 6.862422\n3.109687 -3.459957 6.862422\n3.109687 3.459957 -6.862422\nPr N Cl\n4 2 6\ndirect\n0.082676 0.907022 0.175654 Pr\n0.917324 0.092978 0.824346 Pr\n0.268632 0.592978 0.675654 Pr\n0.731368 0.407022 0.324346 Pr\n0.000000 0.750000 0.750000 N\n0.000000 0.250000 0.250000 N\n0.377560 0.203135 0.174426 Cl\n0.622440 0.796865 0.825574 Cl\n0.500000 0.250000 0.750000 Cl\n0.500000 0.750000 0.250000 Cl\n0.028709 0.703135 0.325574 Cl\n0.971291 0.296865 0.674426 Cl\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Pr",
"N",
"Cl"
],
"chemical_system": "Cl-N-Pr",
"density": 4.5224716251426225,
"density_atomic": 0.04063090109049405,
"volume": 295.3417147523589,
"volume_molar": 14.821578154487282,
"formula_full": "Pr4 N2 Cl6",
"formula_reduced": "Pr2NCl3",
"formula_anonymous": "AB2C3",
"energy": -76.15917881,
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"updated_at": "2021-11-28T01:40:07.909000Z",
"spacegroup": 72
},
{
"id": "mp-20731",
"created_at": "2022-09-04T14:48:15.234257Z",
"structure_string": "In2 Hg1 Se4\n1.0\n-3.003539 3.003539 5.916395\n3.003539 -3.003539 5.916395\n3.003539 3.003539 -5.916395\nIn Hg Se\n2 1 4\ndirect\n0.250000 0.750000 0.500000 In\n0.500000 0.500000 0.000000 In\n0.000000 0.000000 0.000000 Hg\n0.099107 0.586526 0.961352 Se\n0.862246 0.900893 0.487419 Se\n0.413474 0.374827 0.512581 Se\n0.625173 0.137754 0.038648 Se\n",
"nsites": 7,
"nelements": 3,
"elements": [
"In",
"Hg",
"Se"
],
"chemical_system": "Hg-In-Se",
"density": 5.802867342173684,
"density_atomic": 0.03278795545002379,
"volume": 213.49303132577367,
"volume_molar": 18.36692979889855,
"formula_full": "In2 Hg1 Se4",
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"formula_anonymous": "AB2C4",
"energy": -24.86426638,
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"updated_at": "2021-11-28T01:38:41.158000Z",
"spacegroup": 82
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{
"id": "mp-2406",
"created_at": "2022-09-04T14:48:15.237332Z",
"structure_string": "Mg20 Pd8\n1.0\n4.403402 -7.626916 0.000000\n4.403402 7.626916 0.000000\n0.000000 0.000000 8.055814\nMg Pd\n20 8\ndirect\n0.192582 0.807418 0.438367 Mg\n0.192582 0.385165 0.438367 Mg\n0.614835 0.807418 0.438367 Mg\n0.807418 0.192582 0.561633 Mg\n0.807418 0.614835 0.561633 Mg\n0.385165 0.192582 0.561633 Mg\n0.807418 0.192582 0.938367 Mg\n0.807418 0.614835 0.938367 Mg\n0.385165 0.192582 0.938367 Mg\n0.192582 0.807418 0.061633 Mg\n0.192582 0.385165 0.061633 Mg\n0.614835 0.807418 0.061633 Mg\n0.536100 0.463900 0.250000 Mg\n0.536100 0.072200 0.250000 Mg\n0.927800 0.463900 0.250000 Mg\n0.463900 0.536100 0.750000 Mg\n0.463900 0.927800 0.750000 Mg\n0.072200 0.536100 0.750000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.876182 0.123818 0.250000 Pd\n0.876182 0.752364 0.250000 Pd\n0.247636 0.123818 0.250000 Pd\n0.123818 0.876182 0.750000 Pd\n0.123818 0.247636 0.750000 Pd\n0.752364 0.876182 0.750000 Pd\n0.333333 0.666667 0.250000 Pd\n0.666667 0.333333 0.750000 Pd\n",
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"formula_full": "Mg20 Pd8",
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"spacegroup": 194
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{
"id": "mp-1103346",
"created_at": "2022-09-04T14:48:15.240404Z",
"structure_string": "Nb4 Ge4 Pt4\n1.0\n3.974875 0.000000 0.000000\n0.000000 6.518214 0.000000\n0.000000 0.000000 7.574302\nNb Ge Pt\n4 4 4\ndirect\n0.250000 0.027914 0.328358 Nb\n0.250000 0.527914 0.171642 Nb\n0.750000 0.972086 0.671642 Nb\n0.750000 0.472086 0.828358 Nb\n0.250000 0.262158 0.623937 Ge\n0.250000 0.762158 0.876063 Ge\n0.750000 0.737842 0.376063 Ge\n0.750000 0.237842 0.123937 Ge\n0.250000 0.153336 0.936130 Pt\n0.250000 0.653336 0.563870 Pt\n0.750000 0.846664 0.063870 Pt\n0.750000 0.346664 0.436130 Pt\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "Ge-Nb-Pt",
"density": 12.206093452190762,
"density_atomic": 0.06114860283613057,
"volume": 196.24324094792922,
"volume_molar": 9.848370168225212,
"formula_full": "Nb4 Ge4 Pt4",
"formula_reduced": "NbGePt",
"formula_anonymous": "ABC",
"energy": -89.53206155,
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"updated_at": "2021-11-28T01:40:03.822000Z",
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{
"id": "mp-1096226",
"created_at": "2022-09-04T14:48:15.244882Z",
"structure_string": "Y2 Tc1 Pb1\n1.0\n-5.365884 6.620599 8.942662\n5.365884 -6.620599 8.942662\n5.365884 6.620599 -8.942662\nY Tc Pb\n2 1 1\ndirect\n0.000000 0.223263 0.223263 Y\n0.000000 0.776737 0.776737 Y\n0.000000 0.000000 0.000000 Tc\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"density": 0.6311627746366772,
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"volume": 1270.7653710036639,
"volume_molar": 191.31819842794215,
"formula_full": "Y2 Tc1 Pb1",
"formula_reduced": "Y2TcPb",
"formula_anonymous": "ABC2",
"energy": -17.41355211,
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"updated_at": "2021-11-28T01:38:41.773000Z",
"spacegroup": 71
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{
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{
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{
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}