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{
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{
"id": "mp-1039385",
"created_at": "2022-09-04T14:44:00.474256Z",
"structure_string": "Ca5 Mg1\n1.0\n1.908401 -3.305448 0.000000\n1.908401 3.305448 0.000000\n0.000000 0.000000 18.737636\nCa Mg\n5 1\ndirect\n0.666667 0.333333 0.852844 Ca\n0.000000 0.000000 0.675355 Ca\n0.666667 0.333333 0.500000 Ca\n0.000000 0.000000 0.324645 Ca\n0.666667 0.333333 0.147156 Ca\n0.000000 0.000000 0.000000 Mg\n",
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{
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{
"id": "mp-1077316",
"created_at": "2022-09-04T14:44:18.057351Z",
"structure_string": "C2 O4\n1.0\n-1.974727 1.974727 3.014058\n1.974727 -1.974727 3.014058\n1.974727 1.974727 -3.014058\nC O\n2 4\ndirect\n0.000000 0.000000 0.000000 C\n0.750000 0.250000 0.500000 C\n0.875000 0.290202 0.915202 O\n0.375000 0.959798 0.084798 O\n0.040202 0.125000 0.415202 O\n0.709798 0.625000 0.584798 O\n",
"nsites": 6,
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"elements": [
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"formula_full": "C2 O4",
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"updated_at": "2021-11-28T01:36:26.037000Z",
"spacegroup": 122
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{
"id": "mp-1221896",
"created_at": "2022-09-04T14:44:00.481798Z",
"structure_string": "Mn2 Cu1 Sb2 Pt1\n1.0\n7.259831 -2.191772 0.000000\n7.259831 2.191772 0.000000\n6.598126 0.000000 3.738147\nMn Cu Sb Pt\n2 1 2 1\ndirect\n0.750468 0.750468 0.750468 Mn\n0.249373 0.249373 0.249373 Mn\n0.124613 0.124613 0.124613 Cu\n0.002237 0.002237 0.002237 Sb\n0.497971 0.497971 0.497971 Sb\n0.625338 0.625338 0.625338 Pt\n",
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"Pt"
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"density": 8.543007284209356,
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"volume": 118.96199996246452,
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"formula_full": "Mn2 Cu1 Sb2 Pt1",
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"formula_anonymous": "ABC2D2",
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"updated_at": "2021-11-28T01:36:30.637000Z",
"spacegroup": 160
},
{
"id": "mp-1222687",
"created_at": "2022-09-04T14:43:56.488659Z",
"structure_string": "Li2 Cu3 Ge1\n1.0\n4.201476 -2.483728 0.000000\n4.201476 2.483728 0.000000\n2.733204 0.000000 4.043624\nLi Cu Ge\n2 3 1\ndirect\n0.626403 0.626403 0.626403 Li\n0.373597 0.373597 0.373597 Li\n0.000000 0.500000 0.000000 Cu\n0.500000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 6,
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"volume": 84.39304977215242,
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"formula_full": "Li2 Cu3 Ge1",
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"formula_anonymous": "AB2C3",
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{
"id": "mp-6947",
"created_at": "2022-09-04T14:44:00.732456Z",
"structure_string": "Si2 O4\n1.0\n4.233169 0.000000 0.000000\n0.000000 4.233169 0.000000\n0.000000 0.000000 2.693495\nSi O\n2 4\ndirect\n0.500000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n0.693161 0.693161 0.000000 O\n0.193161 0.806839 0.500000 O\n0.306839 0.306839 0.000000 O\n0.806839 0.193161 0.500000 O\n",
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"O"
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"volume": 48.26667563572915,
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"formula_full": "Si2 O4",
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"energy": -49.06920146,
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"updated_at": "2021-11-28T01:36:24.446000Z",
"spacegroup": 136
},
{
"id": "mp-1018893",
"created_at": "2022-09-04T14:43:59.561244Z",
"structure_string": "Pr2 Cu2 Sn2\n1.0\n2.293863 -3.973088 0.000000\n2.293863 3.973088 0.000000\n0.000000 0.000000 7.981650\nPr Cu Sn\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Pr\n0.000000 0.000000 0.000000 Pr\n0.333333 0.666667 0.250000 Cu\n0.666667 0.333333 0.750000 Cu\n0.333333 0.666667 0.750000 Sn\n0.666667 0.333333 0.250000 Sn\n",
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"volume": 145.48503943529076,
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"formula_full": "Pr2 Cu2 Sn2",
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"energy": -29.19646936,
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"updated_at": "2021-11-28T01:36:11.963000Z",
"spacegroup": 194
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{
"id": "mp-16750",
"created_at": "2022-09-04T14:44:00.544657Z",
"structure_string": "Ho2 Cu2 Pb2\n1.0\n2.303551 -3.989867 0.000000\n2.303551 3.989867 0.000000\n0.000000 0.000000 7.346170\nHo Cu Pb\n2 2 2\ndirect\n0.000000 0.000000 0.984535 Ho\n0.000000 0.000000 0.484535 Ho\n0.666667 0.333333 0.314151 Cu\n0.333333 0.666667 0.814151 Cu\n0.333333 0.666667 0.215814 Pb\n0.666667 0.333333 0.715814 Pb\n",
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"volume": 135.03527112661817,
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{
"id": "mp-32811",
"created_at": "2022-09-04T14:43:57.413141Z",
"structure_string": "Ag4 Te2\n1.0\n2.539697 -3.779850 0.000000\n2.539697 3.779850 0.000000\n0.000000 0.000000 7.666760\nAg Te\n4 2\ndirect\n0.142578 0.857422 0.358007 Ag\n0.357422 0.642578 0.858007 Ag\n0.642578 0.357422 0.141993 Ag\n0.857422 0.142578 0.641993 Ag\n0.000000 0.000000 0.000000 Te\n0.500000 0.500000 0.500000 Te\n",
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"formula_full": "Ag4 Te2",
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"spacegroup": 64
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{
"id": "mp-1217310",
"created_at": "2022-09-04T14:43:59.518829Z",
"structure_string": "Th2 Mn2 Al2\n1.0\n-2.786376 2.787067 3.824900\n2.786376 -2.787067 3.824900\n2.786376 2.787067 -3.824900\nTh Mn Al\n2 2 2\ndirect\n0.135241 0.885241 0.250000 Th\n0.864759 0.114759 0.750000 Th\n0.500000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.500000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n",
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{
"id": "mp-569912",
"created_at": "2022-09-04T14:43:56.594538Z",
"structure_string": "Ca3 Si1 Br2\n1.0\n2.279790 -3.948712 0.000000\n2.279790 3.948712 0.000000\n0.000000 0.000000 11.095712\nCa Si Br\n3 1 2\ndirect\n0.333333 0.666667 0.113435 Ca\n0.666667 0.333333 0.886565 Ca\n0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Si\n0.333333 0.666667 0.629538 Br\n0.666667 0.333333 0.370462 Br\n",
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{
"id": "mp-1080268",
"created_at": "2022-09-04T14:43:56.209484Z",
"structure_string": "Ce2 Se4\n1.0\n6.651491 0.000000 0.000000\n0.000000 6.651491 0.000000\n0.000000 0.000000 4.401581\nCe Se\n2 4\ndirect\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Ce\n0.806088 0.193912 0.500000 Se\n0.193912 0.806088 0.500000 Se\n0.306088 0.306088 0.000000 Se\n0.693912 0.693912 0.000000 Se\n",
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"formula_full": "Ce2 Se4",
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"updated_at": "2021-11-28T01:36:19.685000Z",
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}
]
}