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{
"id": "mp-1096716",
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"structure_string": "Ca1 Y1 Cd2\n1.0\n-6.449112 6.484018 9.170540\n6.449112 -6.484018 9.170540\n6.449112 6.484018 -9.170540\nCa Y Cd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Y\n0.000000 0.255929 0.255929 Cd\n0.000000 0.744071 0.744071 Cd\n",
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{
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{
"id": "mp-1185119",
"created_at": "2022-09-04T14:40:31.928720Z",
"structure_string": "K3 Rb1\n1.0\n-3.302089 3.302089 7.130011\n3.302089 -3.302089 7.130011\n3.302089 3.302089 -7.130011\nK Rb\n3 1\ndirect\n0.750000 0.250000 0.500000 K\n0.250000 0.750000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Rb\n",
"nsites": 4,
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"elements": [
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"density": 1.0827032066049205,
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"volume": 310.97662087386453,
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"formula_full": "K3 Rb1",
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"updated_at": "2021-11-28T01:34:59.204000Z",
"spacegroup": 139
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{
"id": "mp-1059242",
"created_at": "2022-09-04T14:46:08.272192Z",
"structure_string": "Cl1 O1\n1.0\n3.091301 0.000000 0.000000\n0.000000 3.091301 0.000000\n0.000000 0.000000 3.091301\nCl O\n1 1\ndirect\n0.000000 0.000000 0.000000 Cl\n0.500000 0.500000 0.500000 O\n",
"nsites": 2,
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"elements": [
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"density": 2.8922168473989274,
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"volume": 29.540910926913345,
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"formula_full": "Cl1 O1",
"formula_reduced": "ClO",
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"updated_at": "2021-11-28T01:37:27.968000Z",
"spacegroup": 221
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{
"id": "mp-2730",
"created_at": "2022-09-04T14:42:26.291982Z",
"structure_string": "Hg1 Te1\n1.0\n0.000000 3.330199 3.330199\n3.330199 0.000000 3.330199\n3.330199 3.330199 0.000000\nHg Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Hg\n0.250000 0.250000 0.250000 Te\n",
"nsites": 2,
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"elements": [
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"density": 7.377919077797716,
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"volume": 73.86531493784373,
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"formula_full": "Hg1 Te1",
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"updated_at": "2021-11-28T01:35:44.467000Z",
"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",
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"elements": [
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"density": 0.13317435370757058,
"density_atomic": 0.0019680951917459485,
"volume": 5081.055043444692,
"volume_molar": 305.98828680931854,
"formula_full": "Na9 Hg1",
"formula_reduced": "Na9Hg",
"formula_anonymous": "AB9",
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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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"Ca",
"Tl"
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"chemical_system": "Ca-Li-Tl",
"density": 0.5131849684912838,
"density_atomic": 0.0027122156709107766,
"volume": 1474.8089699875447,
"volume_molar": 222.03768028439026,
"formula_full": "Li1 Ca1 Tl2",
"formula_reduced": "LiCaTl2",
"formula_anonymous": "ABC2",
"energy": -4.19766076,
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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",
"nsites": 2,
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"density": 8.853682791786275,
"density_atomic": 0.06154084211304468,
"volume": 32.49874280768193,
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"formula_full": "Zn1 Ag1",
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"updated_at": "2021-11-28T01:38:41.726000Z",
"spacegroup": 221
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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",
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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",
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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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"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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"formula_full": "Zn1 Ag1",
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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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"volume": 1570.9165563489637,
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"formula_full": "Ca2 Zn1 Pb1",
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"updated_at": "2021-11-28T01:34:44.191000Z",
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]
}