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{
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"results": [
{
"id": "mp-1096174",
"created_at": "2022-09-04T14:48:23.657456Z",
"structure_string": "Y1 Zn2 Cd1\n1.0\n-5.685727 6.042807 8.485349\n5.685727 -6.042807 8.485349\n5.685727 6.042807 -8.485349\nY Zn Cd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.257187 0.257187 Zn\n0.000000 0.742813 0.742813 Zn\n0.000000 0.500000 0.500000 Cd\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Cd-Y-Zn",
"density": 0.4729433433547035,
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"volume": 1166.150029498763,
"volume_molar": 175.56799062299257,
"formula_full": "Y1 Zn2 Cd1",
"formula_reduced": "YZn2Cd",
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{
"id": "mp-1096412",
"created_at": "2022-09-04T14:40:41.458869Z",
"structure_string": "Sc1 Zn2 Cd1\n1.0\n-5.508934 5.645449 7.975566\n5.508934 -5.645449 7.975566\n5.508934 5.645449 -7.975566\nSc Zn Cd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.250230 0.250230 Zn\n0.000000 0.749770 0.749770 Zn\n0.000000 0.500000 0.500000 Cd\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Cd-Sc-Zn",
"density": 0.48231722767821117,
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"volume": 992.1733608486267,
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"formula_full": "Sc1 Zn2 Cd1",
"formula_reduced": "ScZn2Cd",
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"energy_uncorrected": -4.13688763,
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"updated_at": "2021-11-28T01:35:04.262000Z",
"spacegroup": 71
},
{
"id": "mp-983062",
"created_at": "2022-09-04T14:46:14.252810Z",
"structure_string": "K3 Cd1\n1.0\n0.000000 4.685085 4.685085\n4.685085 0.000000 4.685085\n4.685085 4.685085 0.000000\nK Cd\n3 1\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
"nelements": 2,
"elements": [
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],
"chemical_system": "Cd-K",
"density": 1.8545512025177564,
"density_atomic": 0.019448117600895307,
"volume": 205.67543255784597,
"volume_molar": 30.965160143430882,
"formula_full": "K3 Cd1",
"formula_reduced": "K3Cd",
"formula_anonymous": "AB3",
"energy": -4.14184849,
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"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.14184849,
"band_gap": 0.0,
"is_gap_direct": false,
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"total_magnetization": 0.0048813,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:27.034000Z",
"spacegroup": 225
},
{
"id": "mp-1093762",
"created_at": "2022-09-04T14:44:11.804447Z",
"structure_string": "K1 Na2 Pb1\n1.0\n-5.874457 6.842160 8.814197\n5.874457 -6.842160 8.814197\n5.874457 6.842160 -8.814197\nK Na Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 K\n0.277970 0.000000 0.277970 Na\n0.722030 0.000000 0.722030 Na\n0.500000 0.000000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
"K",
"Na",
"Pb"
],
"chemical_system": "K-Na-Pb",
"density": 0.3424847871945752,
"density_atomic": 0.002822645202959832,
"volume": 1417.1104451262918,
"volume_molar": 213.35096432541962,
"formula_full": "K1 Na2 Pb1",
"formula_reduced": "KNa2Pb",
"formula_anonymous": "ABC2",
"energy": -4.14356372,
"energy_per_atom": -1.03589093,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.14356372,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 1.6897848,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.564000Z",
"spacegroup": 71
},
{
"id": "mp-975043",
"created_at": "2022-09-04T14:45:40.243249Z",
"structure_string": "Rb3 Ca1\n1.0\n-3.298006 3.298006 6.795757\n3.298006 -3.298006 6.795757\n3.298006 3.298006 -6.795757\nRb Ca\n3 1\ndirect\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Ca\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Ca"
],
"chemical_system": "Ca-Rb",
"density": 1.6651211413656577,
"density_atomic": 0.013528799984378342,
"volume": 295.6655434790067,
"volume_molar": 44.513488017811966,
"formula_full": "Rb3 Ca1",
"formula_reduced": "Rb3Ca",
"formula_anonymous": "AB3",
"energy": -4.14457995,
"energy_per_atom": -1.0361449875,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -4.14457995,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1157216,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:16.822000Z",
"spacegroup": 139
},
{
"id": "mp-982780",
"created_at": "2022-09-04T14:42:49.240253Z",
"structure_string": "K3 Cd1\n1.0\n5.952904 0.000000 0.000000\n0.000000 5.952904 0.000000\n0.000000 0.000000 5.952904\nK Cd\n3 1\ndirect\n0.000000 0.500000 0.500000 K\n0.500000 0.000000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Cd"
],
"chemical_system": "Cd-K",
"density": 1.8081506460964707,
"density_atomic": 0.018961528998325032,
"volume": 210.9534521373957,
"volume_molar": 31.759784564482995,
"formula_full": "K3 Cd1",
"formula_reduced": "K3Cd",
"formula_anonymous": "AB3",
"energy": -4.14668731,
"energy_per_atom": -1.0366718275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -4.14668731,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.067799,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.093000Z",
"spacegroup": 221
},
{
"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",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Tl",
"Ga"
],
"chemical_system": "Ca-Ga-Tl",
"density": 0.325836650243054,
"density_atomic": 0.002215572103730671,
"volume": 1805.4027640376207,
"volume_molar": 271.80973933819047,
"formula_full": "Ca2 Tl1 Ga1",
"formula_reduced": "Ca2TlGa",
"formula_anonymous": "ABC2",
"energy": -4.1498721,
"energy_per_atom": -1.037468025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.1498721,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 2.1055238,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:01.717000Z",
"spacegroup": 71
},
{
"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,
"nelements": 3,
"elements": [
"Ca",
"Zn",
"Pb"
],
"chemical_system": "Ca-Pb-Zn",
"density": 0.37289062965291175,
"density_atomic": 0.002546284195575974,
"volume": 1570.9165563489637,
"volume_molar": 236.5070156136983,
"formula_full": "Ca2 Zn1 Pb1",
"formula_reduced": "Ca2ZnPb",
"formula_anonymous": "ABC2",
"energy": -4.16892501,
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"energy_above_hull": null,
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"band_gap": 0.0054000000000002,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:44.191000Z",
"spacegroup": 71
},
{
"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",
"nsites": 2,
"nelements": 2,
"elements": [
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"Ag"
],
"chemical_system": "Ag-Zn",
"density": 8.685307214934971,
"density_atomic": 0.06037048453028693,
"volume": 33.12877170956995,
"volume_molar": 9.975306322046805,
"formula_full": "Zn1 Ag1",
"formula_reduced": "ZnAg",
"formula_anonymous": "AB",
"energy": -4.16911528,
"energy_per_atom": -2.08455764,
"energy_above_hull": null,
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"energy_uncorrected": -4.16911528,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:20.216000Z",
"spacegroup": 187
},
{
"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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"Ge"
],
"chemical_system": "Ge-K",
"density": 2.339447600554409,
"density_atomic": 0.02521692697320719,
"volume": 79.31180520628014,
"volume_molar": 23.881342744095992,
"formula_full": "K1 Ge1",
"formula_reduced": "KGe",
"formula_anonymous": "AB",
"energy": -4.18076048,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:08.211000Z",
"spacegroup": 225
},
{
"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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"density": 0.3188223093527739,
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"volume": 1623.2404410037243,
"volume_molar": 244.38456057622258,
"formula_full": "Ca2 Mg1 Pb1",
"formula_reduced": "Ca2MgPb",
"formula_anonymous": "ABC2",
"energy": -4.18225669,
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"updated_at": "2021-11-28T01:35:44.145000Z",
"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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"elements": [
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"chemical_system": "Ag-Zn",
"density": 8.853682791786275,
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"volume": 32.49874280768193,
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"formula_full": "Zn1 Ag1",
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"energy": -4.19151912,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:38:41.726000Z",
"spacegroup": 221
}
]
}