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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_uncorrected&page=148",
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"results": [
{
"id": "mp-1093682",
"created_at": "2022-09-04T14:42:28.199308Z",
"structure_string": "Mg1 Sc2 Zn1\n1.0\n-5.863524 5.941002 8.496542\n5.863524 -5.941002 8.496542\n5.863524 5.941002 -8.496542\nMg Sc Zn\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.262711 0.262711 Sc\n0.000000 0.737289 0.737289 Sc\n0.000000 0.500000 0.500000 Zn\n",
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{
"id": "mp-1096448",
"created_at": "2022-09-04T14:39:38.090029Z",
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"nsites": 4,
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"elements": [
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"updated_at": "2021-11-28T01:34:39.475000Z",
"spacegroup": 71
},
{
"id": "mp-974732",
"created_at": "2022-09-04T14:44:20.424279Z",
"structure_string": "Rb3 Y1\n1.0\n0.000000 5.108542 5.108542\n5.108542 0.000000 5.108542\n5.108542 5.108542 0.000000\nRb Y\n3 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Y\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"chemical_system": "Rb-Y",
"density": 2.150484957912394,
"density_atomic": 0.015001652140261564,
"volume": 266.6372985189255,
"volume_molar": 40.14318358867772,
"formula_full": "Rb3 Y1",
"formula_reduced": "Rb3Y",
"formula_anonymous": "AB3",
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:33.740000Z",
"spacegroup": 225
},
{
"id": "mp-962076",
"created_at": "2022-09-04T14:45:38.794353Z",
"structure_string": "Sr1 Cd1 Si1\n1.0\n0.000000 3.647617 3.647617\n3.647617 0.000000 3.647617\n3.647617 3.647617 0.000000\nSr Cd Si\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Si\n",
"nsites": 3,
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"elements": [
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"Cd",
"Si"
],
"chemical_system": "Cd-Si-Sr",
"density": 3.902546693587505,
"density_atomic": 0.03090747778356001,
"volume": 97.06388923122446,
"volume_molar": 19.484413455449396,
"formula_full": "Sr1 Cd1 Si1",
"formula_reduced": "SrCdSi",
"formula_anonymous": "ABC",
"energy": -6.8106588100000005,
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"energy_uncorrected": -6.881658810000001,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:14.550000Z",
"spacegroup": 216
},
{
"id": "mp-862689",
"created_at": "2022-09-04T14:43:01.253426Z",
"structure_string": "Cs6 Rb2\n1.0\n5.373780 -9.307660 0.000000\n5.373780 9.307660 0.000000\n0.000000 0.000000 8.714808\nCs Rb\n6 2\ndirect\n0.167849 0.335699 0.250000 Cs\n0.664301 0.832151 0.250000 Cs\n0.167849 0.832151 0.250000 Cs\n0.832151 0.664301 0.750000 Cs\n0.335699 0.167849 0.750000 Cs\n0.832151 0.167849 0.750000 Cs\n0.333333 0.666667 0.750000 Rb\n0.666667 0.333333 0.250000 Rb\n",
"nsites": 8,
"nelements": 2,
"elements": [
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"chemical_system": "Cs-Rb",
"density": 1.844511870386351,
"density_atomic": 0.009176599432285914,
"volume": 871.7826313583766,
"volume_molar": 65.62497147704167,
"formula_full": "Cs6 Rb2",
"formula_reduced": "Cs3Rb",
"formula_anonymous": "AB3",
"energy": -6.88169605,
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"energy_uncorrected": -6.88169605,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.901000Z",
"spacegroup": 194
},
{
"id": "mp-1183644",
"created_at": "2022-09-04T14:48:00.010107Z",
"structure_string": "Cd3 Ge1\n1.0\n-2.210347 2.210347 4.585876\n2.210347 -2.210347 4.585876\n2.210347 2.210347 -4.585876\nCd Ge\n3 1\ndirect\n0.750000 0.250000 0.500000 Cd\n0.250000 0.750000 0.500000 Cd\n0.500000 0.500000 0.000000 Cd\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Cd-Ge",
"density": 7.594430154875318,
"density_atomic": 0.044633071610428315,
"volume": 89.61964426094794,
"volume_molar": 13.492552815013866,
"formula_full": "Cd3 Ge1",
"formula_reduced": "Cd3Ge",
"formula_anonymous": "AB3",
"energy": -6.88324199,
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"formation_energy": null,
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"energy_uncorrected": -6.88324199,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0001324,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:24.040000Z",
"spacegroup": 139
},
{
"id": "mp-1186867",
"created_at": "2022-09-04T14:40:57.323439Z",
"structure_string": "Rb3 Si1\n1.0\n-3.131441 3.131441 4.627730\n3.131441 -3.131441 4.627730\n3.131441 3.131441 -4.627730\nRb Si\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 Si\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Si"
],
"chemical_system": "Rb-Si",
"density": 2.602543232687917,
"density_atomic": 0.02203654580076521,
"volume": 181.51665130118087,
"volume_molar": 27.327970610488713,
"formula_full": "Rb3 Si1",
"formula_reduced": "Rb3Si",
"formula_anonymous": "AB3",
"energy": -6.813076140000001,
"energy_per_atom": -1.7032690350000002,
"energy_above_hull": null,
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"energy_uncorrected": -6.88407614,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.743000Z",
"spacegroup": 139
},
{
"id": "mp-1184757",
"created_at": "2022-09-04T14:39:15.665905Z",
"structure_string": "K2 Cd1 Au1\n1.0\n0.000000 4.155040 4.155040\n4.155040 0.000000 4.155040\n4.155040 4.155040 0.000000\nK Cd Au\n2 1 1\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Cd",
"Au"
],
"chemical_system": "Au-Cd-K",
"density": 4.485886687804088,
"density_atomic": 0.027880744628986952,
"volume": 143.4681911558881,
"volume_molar": 21.59964104308363,
"formula_full": "K2 Cd1 Au1",
"formula_reduced": "K2CdAu",
"formula_anonymous": "ABC2",
"energy": -6.88502526,
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"energy_above_hull": null,
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"energy_uncorrected": -6.88502526,
"band_gap": 0.0,
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"total_magnetization": 0.0030158,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.817000Z",
"spacegroup": 225
},
{
"id": "mp-1185177",
"created_at": "2022-09-04T14:41:54.590557Z",
"structure_string": "K3 Th1\n1.0\n6.018195 0.000000 0.000000\n0.000000 6.018195 0.000000\n0.000000 0.000000 6.018195\nK Th\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 Th\n",
"nsites": 4,
"nelements": 2,
"elements": [
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],
"chemical_system": "K-Th",
"density": 2.6612758606329123,
"density_atomic": 0.018351062939448926,
"volume": 217.9710250680508,
"volume_molar": 32.81630486403226,
"formula_full": "K3 Th1",
"formula_reduced": "K3Th",
"formula_anonymous": "AB3",
"energy": -6.89041161,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:32.283000Z",
"spacegroup": 221
},
{
"id": "mp-1507",
"created_at": "2022-09-04T14:42:21.925538Z",
"structure_string": "Hg2 Te2\n1.0\n2.992518 -3.466929 0.000000\n2.992518 3.466929 0.000000\n0.000000 0.000000 5.798157\nHg Te\n2 2\ndirect\n0.343050 0.656950 0.250000 Hg\n0.656950 0.343050 0.750000 Hg\n0.784809 0.215191 0.250000 Te\n0.215191 0.784809 0.750000 Te\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Hg-Te",
"density": 9.059469170947605,
"density_atomic": 0.033247447257491604,
"volume": 120.3099885841216,
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"formula_full": "Hg2 Te2",
"formula_reduced": "HgTe",
"formula_anonymous": "AB",
"energy": -7.73557864,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:43.672000Z",
"spacegroup": 63
},
{
"id": "mp-1039120",
"created_at": "2022-09-04T14:46:21.814032Z",
"structure_string": "Ca2 Mg2\n1.0\n1.818347 -3.149469 0.000000\n1.818347 3.149469 0.000000\n0.000000 0.000000 11.335599\nCa Mg\n2 2\ndirect\n0.666667 0.333333 0.643020 Ca\n0.333333 0.666667 0.356980 Ca\n0.333333 0.666667 0.887458 Mg\n0.666667 0.333333 0.112542 Mg\n",
"nsites": 4,
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"elements": [
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"density": 1.6468791457930525,
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"volume": 129.83404033988808,
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"formula_full": "Ca2 Mg2",
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"energy": -6.89166562,
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"updated_at": "2021-11-28T01:37:33.464000Z",
"spacegroup": 164
},
{
"id": "mp-1097086",
"created_at": "2022-09-04T14:47:03.120905Z",
"structure_string": "Li2 In1 Sb1\n1.0\n-5.462397 5.676776 8.174073\n5.462397 -5.676776 8.174073\n5.462397 5.676776 -8.174073\nLi In Sb\n2 1 1\ndirect\n0.000000 0.260995 0.260995 Li\n0.000000 0.739005 0.739005 Li\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 Sb\n",
"nsites": 4,
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"elements": [
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"density": 0.41020783559650126,
"density_atomic": 0.003945267631830652,
"volume": 1013.8729164348102,
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"formula_full": "Li2 In1 Sb1",
"formula_reduced": "Li2InSb",
"formula_anonymous": "ABC2",
"energy": -7.0845221700000005,
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"updated_at": "2021-11-28T01:37:52.796000Z",
"spacegroup": 71
}
]
}