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{
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{
"id": "mp-756006",
"created_at": "2022-09-04T14:46:39.283293Z",
"structure_string": "Li2 Sb2 S2\n1.0\n4.439023 0.000000 0.000000\n0.019716 4.534708 0.000000\n0.029377 0.145040 7.172044\nLi Sb S\n2 2 2\ndirect\n0.102388 0.585944 0.015489 Li\n0.601457 0.083266 0.008659 Li\n0.074240 0.026965 0.502145 Sb\n0.579811 0.591205 0.519995 Sb\n0.600765 0.585541 0.863177 S\n0.098936 0.078284 0.160127 S\n",
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{
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{
"id": "mp-1094166",
"created_at": "2022-09-04T14:46:40.404149Z",
"structure_string": "La3 Mg3\n1.0\n1.824270 6.268434 0.000000\n-1.824270 6.268434 0.000000\n0.000000 2.460415 8.017042\nLa Mg\n3 3\ndirect\n0.616432 0.616432 0.247994 La\n0.321218 0.321218 0.351748 La\n0.957741 0.957741 0.602727 La\n0.993003 0.993003 0.993643 Mg\n0.664918 0.664918 0.709454 Mg\n0.280021 0.280021 0.927766 Mg\n",
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"volume": 183.35481880459997,
"volume_molar": 18.403142131093265,
"formula_full": "La3 Mg3",
"formula_reduced": "LaMg",
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"energy": -19.49528227,
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"updated_at": "2021-11-28T01:37:44.583000Z",
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{
"id": "mp-28945",
"created_at": "2022-09-04T14:46:32.923546Z",
"structure_string": "Si2 Ni1 P3\n1.0\n-1.758608 2.663771 5.577036\n1.758608 -2.663771 5.577036\n1.758608 2.663771 -5.577036\nSi Ni P\n2 1 3\ndirect\n0.592368 0.834793 0.757574 Si\n0.922781 0.165207 0.757574 Si\n0.247648 0.500000 0.747648 Ni\n0.003820 0.000000 0.003820 P\n0.326296 0.337905 0.988392 P\n0.650487 0.662095 0.988392 P\n",
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"elements": [
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"density": 3.3016828488297008,
"density_atomic": 0.05741453874951175,
"volume": 104.5031472982272,
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"formula_full": "Si2 Ni1 P3",
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"formula_anonymous": "AB2C3",
"energy": -34.47309496,
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"updated_at": "2021-11-28T01:37:30.594000Z",
"spacegroup": 44
},
{
"id": "mp-1225157",
"created_at": "2022-09-04T14:46:30.315775Z",
"structure_string": "Eu1 Cu3 Pd2\n1.0\n0.000000 0.000000 -4.303163\n-2.603136 -4.508763 0.000000\n-2.605012 4.509846 0.000000\nEu Cu Pd\n1 3 2\ndirect\n0.000000 0.999984 0.000000 Eu\n0.500000 0.499990 0.000000 Cu\n0.500000 0.499991 0.499999 Cu\n0.500000 0.999992 0.500001 Cu\n0.000000 0.333278 0.666613 Pd\n0.000000 0.666665 0.333387 Pd\n",
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"volume": 101.06031749584737,
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"formula_full": "Eu1 Cu3 Pd2",
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"formula_anonymous": "AB2C3",
"energy": -35.08691908,
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{
"id": "mp-1215988",
"created_at": "2022-09-04T14:46:40.897926Z",
"structure_string": "Y2 Ga2 Ag2\n1.0\n2.296145 5.284434 0.000000\n-2.296145 5.284434 0.000000\n0.000000 4.832261 5.341954\nY Ga Ag\n2 2 2\ndirect\n0.535423 0.535423 0.709486 Y\n0.464577 0.464577 0.290514 Y\n0.840997 0.840997 0.116053 Ga\n0.159003 0.159003 0.883947 Ga\n0.174209 0.174209 0.277136 Ag\n0.825791 0.825791 0.722864 Ag\n",
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"Ga",
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"density": 6.82721486823749,
"density_atomic": 0.046283194072316326,
"volume": 129.6366882247831,
"volume_molar": 13.011506402497973,
"formula_full": "Y2 Ga2 Ag2",
"formula_reduced": "YGaAg",
"formula_anonymous": "ABC",
"energy": -27.657594010000004,
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"updated_at": "2021-11-28T01:37:45.359000Z",
"spacegroup": 12
},
{
"id": "mp-1018886",
"created_at": "2022-09-04T14:47:14.134234Z",
"structure_string": "Pd2 O4\n1.0\n4.597436 0.000000 0.000000\n0.000000 4.597436 0.000000\n0.000000 0.000000 3.206323\nPd O\n2 4\ndirect\n0.500000 0.500000 0.500000 Pd\n0.000000 0.000000 0.000000 Pd\n0.808338 0.191662 0.500000 O\n0.191662 0.808338 0.500000 O\n0.308338 0.308338 0.000000 O\n0.691662 0.691662 0.000000 O\n",
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"density": 6.783213993342548,
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"volume": 67.7701824466928,
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"formula_full": "Pd2 O4",
"formula_reduced": "PdO2",
"formula_anonymous": "AB2",
"energy": -34.51676805,
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"updated_at": "2021-11-28T01:37:59.653000Z",
"spacegroup": 136
},
{
"id": "mp-21395",
"created_at": "2022-09-04T14:46:33.446494Z",
"structure_string": "Cr2 O4\n1.0\n0.000007 0.000006 -2.985964\n-0.000242 -4.448051 0.000008\n-4.529235 -0.000246 0.000010\nCr O\n2 4\ndirect\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.499999 0.792969 0.189817 O\n0.500001 0.207031 0.810183 O\n0.999993 0.707004 0.689779 O\n0.000007 0.292996 0.310221 O\n",
"nsites": 6,
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"density": 4.637168014737258,
"density_atomic": 0.09974062183121131,
"volume": 60.1560316132143,
"volume_molar": 6.037801498963106,
"formula_full": "Cr2 O4",
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"formula_anonymous": "AB2",
"energy": -51.3795799,
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"updated_at": "2021-11-28T01:37:34.841000Z",
"spacegroup": 58
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{
"id": "mp-1220389",
"created_at": "2022-09-04T14:46:32.342990Z",
"structure_string": "Nd2 Ge3 Rh1\n1.0\n4.180227 0.000000 0.000000\n0.000000 4.314458 0.000000\n0.000000 0.000000 7.404235\nNd Ge Rh\n2 3 1\ndirect\n0.500000 0.500000 0.006904 Nd\n0.500000 0.000000 0.494992 Nd\n0.000000 0.000000 0.836966 Ge\n0.000000 0.000000 0.174983 Ge\n0.000000 0.500000 0.657687 Ge\n0.000000 0.500000 0.328468 Rh\n",
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"volume": 133.53844226008445,
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"formula_full": "Nd2 Ge3 Rh1",
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"energy": -35.51765958,
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"updated_at": "2021-11-28T01:37:36.033000Z",
"spacegroup": 25
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{
"id": "mp-10860",
"created_at": "2022-09-04T14:46:53.823579Z",
"structure_string": "Ce1 Ni2 B2 C1\n1.0\n-1.815308 1.815308 5.093027\n1.815308 -1.815308 5.093027\n1.815308 1.815308 -5.093027\nCe Ni B C\n1 2 2 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.750000 0.250000 0.500000 Ni\n0.250000 0.750000 0.500000 Ni\n0.353031 0.353031 0.000000 B\n0.646969 0.646969 0.000000 B\n0.500000 0.500000 0.000000 C\n",
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"volume": 67.13308624050798,
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{
"id": "mp-1072088",
"created_at": "2022-09-04T14:46:37.778516Z",
"structure_string": "Ti2 S4\n1.0\n3.410792 0.000000 0.000000\n0.000000 5.435823 0.000000\n0.000000 0.000000 6.130934\nTi S\n2 4\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.500000 0.746983 0.155538 S\n0.500000 0.253017 0.844462 S\n0.000000 0.246983 0.344462 S\n0.000000 0.753017 0.655538 S\n",
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"updated_at": "2021-11-28T01:37:36.946000Z",
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{
"id": "mp-1077837",
"created_at": "2022-09-04T14:46:52.866463Z",
"structure_string": "La2 Sc2 Ge2\n1.0\n-2.187877 2.187877 8.168907\n2.187877 -2.187877 8.168907\n2.187877 2.187877 -8.168907\nLa Sc Ge\n2 2 2\ndirect\n0.676054 0.676054 0.000000 La\n0.323946 0.323946 0.000000 La\n0.000000 0.500000 0.500000 Sc\n0.500000 0.000000 0.500000 Sc\n0.880617 0.880617 0.000000 Ge\n0.119383 0.119383 0.000000 Ge\n",
"nsites": 6,
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"density": 5.446268570445126,
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"volume": 156.41188455496183,
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"formula_full": "La2 Sc2 Ge2",
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"energy": -36.08823761,
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"updated_at": "2021-11-28T01:37:44.967000Z",
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}
]
}