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{
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{
"id": "mp-1179832",
"created_at": "2022-09-04T14:42:54.098237Z",
"structure_string": "Rb8\n1.0\n-13.000871 13.000871 6.192701\n13.000871 -13.000871 6.192701\n13.000871 13.000871 -6.192701\nRb\n8\ndirect\n0.210183 0.086187 0.296370 Rb\n0.086187 0.789817 0.876005 Rb\n0.210183 0.913813 0.123995 Rb\n0.789817 0.913813 0.703630 Rb\n0.789817 0.086187 0.876005 Rb\n0.086187 0.210183 0.296370 Rb\n0.913813 0.210183 0.123995 Rb\n0.913813 0.789817 0.703630 Rb\n",
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{
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{
"id": "mp-820",
"created_at": "2022-09-04T14:40:32.359212Z",
"structure_string": "Hg1 Se1\n1.0\n0.000000 3.137141 3.137141\n3.137141 0.000000 3.137141\n3.137141 3.137141 0.000000\nHg Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Hg\n0.750000 0.750000 0.750000 Se\n",
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"density": 7.517552718899584,
"density_atomic": 0.032389025690988345,
"volume": 61.7493103707798,
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"formula_full": "Hg1 Se1",
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"band_gap": 0.0,
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"total_magnetization": 4.84e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:01.236000Z",
"spacegroup": 216
},
{
"id": "mp-1210811",
"created_at": "2022-09-04T14:47:58.287691Z",
"structure_string": "Na9 Hg1\n1.0\n6.675720 -11.568252 0.000000\n6.675720 11.568252 0.000000\n0.000000 0.000000 32.897133\nNa Hg\n9 1\ndirect\n0.000000 0.000000 0.248294 Na\n0.000000 0.000000 0.751706 Na\n0.252157 0.996765 0.000000 Na\n0.747843 0.003235 0.000000 Na\n0.996765 0.252157 0.000000 Na\n0.003235 0.747843 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.500000 0.000000 0.000000 Na\n0.000000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 10,
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"elements": [
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"chemical_system": "Hg-Na",
"density": 0.13317435370757058,
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"volume": 5081.055043444692,
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"formula_full": "Na9 Hg1",
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"band_gap": 0.0583,
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"updated_at": "2021-11-28T01:38:24.711000Z",
"spacegroup": 65
},
{
"id": "mp-1097074",
"created_at": "2022-09-04T14:46:42.829371Z",
"structure_string": "Li1 Ca1 Tl2\n1.0\n-5.939552 6.510142 9.535240\n5.939552 -6.510142 9.535240\n5.939552 6.510142 -9.535240\nLi Ca Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Ca\n0.000000 0.228377 0.228377 Tl\n0.000000 0.771623 0.771623 Tl\n",
"nsites": 4,
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"elements": [
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"volume": 1474.8089699875447,
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"formula_full": "Li1 Ca1 Tl2",
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"updated_at": "2021-11-28T01:37:50.233000Z",
"spacegroup": 71
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{
"id": "mp-1912",
"created_at": "2022-09-04T14:48:14.072596Z",
"structure_string": "Zn1 Ag1\n1.0\n3.191211 0.000000 0.000000\n0.000000 3.191211 0.000000\n0.000000 0.000000 3.191211\nZn Ag\n1 1\ndirect\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Ag\n",
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"elements": [
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"density": 8.853682791786275,
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"volume": 32.49874280768193,
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"formula_full": "Zn1 Ag1",
"formula_reduced": "ZnAg",
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"band_gap": 0.0,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:38:41.726000Z",
"spacegroup": 221
},
{
"id": "mp-1058944",
"created_at": "2022-09-04T14:41:19.157717Z",
"structure_string": "K1 Si1\n1.0\n0.000000 3.389798 3.389798\n3.389798 0.000000 3.389798\n3.389798 3.389798 0.000000\nK Si\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Si\n",
"nsites": 2,
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"elements": [
"K",
"Si"
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"density": 1.4320632796431372,
"density_atomic": 0.02567311360839522,
"volume": 77.90251040473686,
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"formula_full": "K1 Si1",
"formula_reduced": "KSi",
"formula_anonymous": "AB",
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"updated_at": "2021-11-28T01:35:10.581000Z",
"spacegroup": 225
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{
"id": "mp-1096214",
"created_at": "2022-09-04T14:42:24.034429Z",
"structure_string": "Ca2 Mg1 Pb1\n1.0\n-6.482277 6.656142 9.405301\n6.482277 -6.656142 9.405301\n6.482277 6.656142 -9.405301\nCa Mg Pb\n2 1 1\ndirect\n0.000000 0.268108 0.268108 Ca\n0.000000 0.731892 0.731892 Ca\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"Mg",
"Pb"
],
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"density": 0.3188223093527739,
"density_atomic": 0.0024642067182152113,
"volume": 1623.2404410037243,
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"formula_full": "Ca2 Mg1 Pb1",
"formula_reduced": "Ca2MgPb",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:35:44.145000Z",
"spacegroup": 71
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{
"id": "mp-1059264",
"created_at": "2022-09-04T14:43:17.535907Z",
"structure_string": "K1 Ge1\n1.0\n0.000000 3.410117 3.410117\n3.410117 0.000000 3.410117\n3.410117 3.410117 0.000000\nK Ge\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Ge\n",
"nsites": 2,
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"elements": [
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"density": 2.339447600554409,
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"volume": 79.31180520628014,
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"formula_full": "K1 Ge1",
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"formula_anonymous": "AB",
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"updated_at": "2021-11-28T01:36:08.211000Z",
"spacegroup": 225
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{
"id": "mp-1187974",
"created_at": "2022-09-04T14:47:42.178290Z",
"structure_string": "Zn1 Ag1\n1.0\n1.456995 -2.523589 0.000000\n1.456995 2.523589 0.000000\n0.000000 0.000000 4.505040\nZn Ag\n1 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.333333 0.666667 0.500000 Ag\n",
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"density": 8.685307214934971,
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"volume": 33.12877170956995,
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"formula_full": "Zn1 Ag1",
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"energy": -4.16911528,
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"updated_at": "2021-11-28T01:38:20.216000Z",
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{
"id": "mp-1097338",
"created_at": "2022-09-04T14:39:16.740144Z",
"structure_string": "Ca2 Zn1 Pb1\n1.0\n-6.245206 6.669501 9.428726\n6.245206 -6.669501 9.428726\n6.245206 6.669501 -9.428726\nCa Zn Pb\n2 1 1\ndirect\n0.000000 0.257838 0.257838 Ca\n0.000000 0.742162 0.742162 Ca\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"density": 0.37289062965291175,
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"volume": 1570.9165563489637,
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"formula_full": "Ca2 Zn1 Pb1",
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{
"id": "mp-1097521",
"created_at": "2022-09-04T14:45:22.026942Z",
"structure_string": "Ca2 Tl1 Ga1\n1.0\n-6.054758 7.338699 10.157767\n6.054758 -7.338699 10.157767\n6.054758 7.338699 -10.157767\nCa Tl Ga\n2 1 1\ndirect\n0.000000 0.241451 0.241451 Ca\n0.000000 0.758549 0.758549 Ca\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Ga\n",
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"volume": 1805.4027640376207,
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"formula_full": "Ca2 Tl1 Ga1",
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"updated_at": "2021-11-28T01:37:01.717000Z",
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}
]
}