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{
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"results": [
{
"id": "mp-1216241",
"created_at": "2022-09-04T14:45:31.422672Z",
"structure_string": "V1 Re1 Mo1\n1.0\n0.000000 2.221454 6.494238\n1.543467 0.000000 6.494238\n1.543467 2.221454 0.000000\nV Re Mo\n1 1 1\ndirect\n0.668301 0.668301 0.331699 V\n0.329043 0.329043 0.670957 Re\n0.002657 0.002657 0.997343 Mo\n",
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"formula_full": "V1 Re1 Mo1",
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{
"id": "mp-1113481",
"created_at": "2022-09-04T14:41:13.746448Z",
"structure_string": "Cs2 In1 Cu1 Br6\n1.0\n0.000000 5.467702 5.467702\n5.467702 0.000000 5.467702\n5.467702 5.467702 0.000000\nCs In Cu Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Cu\n0.745872 0.254128 0.254128 Br\n0.254128 0.254128 0.745872 Br\n0.254128 0.745872 0.745872 Br\n0.254128 0.745872 0.254128 Br\n0.745872 0.254128 0.745872 Br\n0.745872 0.745872 0.254128 Br\n",
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"elements": [
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"chemical_system": "Br-Cs-Cu-In",
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"formula_full": "Cs2 In1 Cu1 Br6",
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"formula_anonymous": "ABC2D6",
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"updated_at": "2021-11-28T01:35:18.174000Z",
"spacegroup": 225
},
{
"id": "mp-1224820",
"created_at": "2022-09-04T14:45:11.344875Z",
"structure_string": "Ga2 Ag2 Se2 S2\n1.0\n4.197204 4.196721 0.000000\n-4.197204 4.196721 0.000000\n0.000000 4.123330 5.421675\nGa Ag Se S\n2 2 2 2\ndirect\n0.252533 0.486987 0.499714 Ga\n0.486987 0.252533 0.999714 Ga\n0.751699 0.016109 0.500374 Ag\n0.016109 0.751699 0.000374 Ag\n0.874837 0.592489 0.749502 Se\n0.592489 0.874837 0.249502 Se\n0.373857 0.161489 0.750410 S\n0.161489 0.373857 0.250410 S\n",
"nsites": 8,
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"elements": [
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"S"
],
"chemical_system": "Ag-Ga-S-Se",
"density": 5.018410061321145,
"density_atomic": 0.04188478926840571,
"volume": 191.00012533749364,
"volume_molar": 14.377870499500366,
"formula_full": "Ga2 Ag2 Se2 S2",
"formula_reduced": "GaAgSeS",
"formula_anonymous": "ABCD",
"energy": -32.744242310000004,
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"updated_at": "2021-11-28T01:36:53.171000Z",
"spacegroup": 9
},
{
"id": "mp-1147769",
"created_at": "2022-09-04T14:40:26.052804Z",
"structure_string": "Cu2 Ge1 S4\n1.0\n-2.654374 2.654374 4.983180\n2.654374 -2.654374 4.983180\n2.654374 2.654374 -4.983180\nCu Ge S\n2 1 4\ndirect\n0.250000 0.750000 0.500000 Cu\n0.750000 0.250000 0.500000 Cu\n0.500000 0.500000 0.000000 Ge\n0.876177 0.876177 0.507638 S\n0.123823 0.631461 0.000000 S\n0.368539 0.368539 0.492362 S\n0.631461 0.123823 0.000000 S\n",
"nsites": 7,
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"elements": [
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"chemical_system": "Cu-Ge-S",
"density": 3.8781227651064882,
"density_atomic": 0.049843352364910665,
"volume": 140.43999185191134,
"volume_molar": 12.082134275220904,
"formula_full": "Cu2 Ge1 S4",
"formula_reduced": "Cu2GeS4",
"formula_anonymous": "AB2C4",
"energy": -32.73635007,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:03.416000Z",
"spacegroup": 121
},
{
"id": "mp-1112627",
"created_at": "2022-09-04T14:45:18.621519Z",
"structure_string": "Cs2 In1 Ga1 Br6\n1.0\n0.000000 5.723917 5.723917\n5.723917 0.000000 5.723917\n5.723917 5.723917 0.000000\nCs In Ga Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Ga\n0.738933 0.261067 0.261067 Br\n0.261067 0.261067 0.738933 Br\n0.261067 0.738933 0.738933 Br\n0.261067 0.738933 0.261067 Br\n0.738933 0.261067 0.738933 Br\n0.738933 0.738933 0.261067 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Ga",
"Br"
],
"chemical_system": "Br-Cs-Ga-In",
"density": 4.1163984471463495,
"density_atomic": 0.02666183408304356,
"volume": 375.06797052494665,
"volume_molar": 22.587121130687596,
"formula_full": "Cs2 In1 Ga1 Br6",
"formula_reduced": "Cs2InGaBr6",
"formula_anonymous": "ABC2D6",
"energy": -32.73534675,
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"energy_above_hull": null,
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"energy_uncorrected": -29.531346750000004,
"band_gap": 1.244,
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"total_magnetization": 0.0001025,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:02.126000Z",
"spacegroup": 225
},
{
"id": "mp-3148",
"created_at": "2022-09-04T14:47:17.890656Z",
"structure_string": "Dy1 Si2 Pt2\n1.0\n-2.097093 2.097093 4.935223\n2.097093 -2.097093 4.935223\n2.097093 2.097093 -4.935223\nDy Si Pt\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Dy\n0.617659 0.617659 0.000000 Si\n0.382341 0.382341 0.000000 Si\n0.750000 0.250000 0.500000 Pt\n0.250000 0.750000 0.500000 Pt\n",
"nsites": 5,
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"elements": [
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],
"chemical_system": "Dy-Pt-Si",
"density": 11.645265855356287,
"density_atomic": 0.0575927545646818,
"volume": 86.81647609656444,
"volume_molar": 10.45642078681373,
"formula_full": "Dy1 Si2 Pt2",
"formula_reduced": "Dy(SiPt)2",
"formula_anonymous": "AB2C2",
"energy": -32.73451207,
"energy_per_atom": -6.546902414,
"energy_above_hull": null,
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"energy_uncorrected": -32.73451207,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:38:04.443000Z",
"spacegroup": 139
},
{
"id": "mp-1220324",
"created_at": "2022-09-04T14:40:52.556513Z",
"structure_string": "Nd1 Si2 Pt2\n1.0\n-2.158366 2.158366 4.966506\n2.158366 -2.158366 4.966506\n2.158366 2.158366 -4.966506\nNd Si Pt\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.250000 0.750000 0.500000 Si\n0.750000 0.250000 0.500000 Si\n0.637538 0.637538 0.000000 Pt\n0.362462 0.362462 0.000000 Pt\n",
"nsites": 5,
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"elements": [
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],
"chemical_system": "Nd-Pt-Si",
"density": 10.596621701596188,
"density_atomic": 0.0540267528836314,
"volume": 92.54674273631686,
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"formula_full": "Nd1 Si2 Pt2",
"formula_reduced": "Nd(SiPt)2",
"formula_anonymous": "AB2C2",
"energy": -32.7339159,
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"updated_at": "2021-11-28T01:35:01.677000Z",
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},
{
"id": "mp-1028003",
"created_at": "2022-09-04T14:42:07.301925Z",
"structure_string": "Mg14 Nb1 Zn1\n1.0\n6.322569 0.023584 0.000000\n-3.140860 5.440128 0.000000\n0.000000 0.000000 10.000086\nMg Nb Zn\n14 1 1\ndirect\n0.166932 0.333466 0.625000 Mg\n0.166833 0.833416 0.625000 Mg\n0.665010 0.335972 0.125000 Mg\n0.665959 0.333064 0.625000 Mg\n0.665010 0.829037 0.125000 Mg\n0.665959 0.832894 0.625000 Mg\n0.327649 0.160649 0.366631 Mg\n0.327649 0.160649 0.883369 Mg\n0.327649 0.667001 0.366631 Mg\n0.327649 0.667001 0.883369 Mg\n0.837693 0.168847 0.369685 Mg\n0.837693 0.168847 0.880315 Mg\n0.842406 0.671203 0.371107 Mg\n0.842406 0.671203 0.878893 Mg\n0.163530 0.831764 0.125000 Nb\n0.169971 0.334985 0.125000 Zn\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Zn"
],
"chemical_system": "Mg-Nb-Zn",
"density": 2.4018612684580014,
"density_atomic": 0.046417234776181523,
"volume": 344.6995513013674,
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"formula_full": "Mg14 Nb1 Zn1",
"formula_reduced": "Mg14NbZn",
"formula_anonymous": "ABC14",
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"updated_at": "2021-11-28T01:35:33.840000Z",
"spacegroup": 38
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{
"id": "mp-1207083",
"created_at": "2022-09-04T14:41:32.445047Z",
"structure_string": "Fe1 Sn1 O3\n1.0\n4.025780 0.000000 0.000000\n0.000000 4.025780 0.000000\n0.000000 0.000000 4.025780\nFe Sn O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Sn\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 5,
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"density": 5.664124969489379,
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"volume": 65.24543243440456,
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"formula_full": "Fe1 Sn1 O3",
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"updated_at": "2021-11-28T01:35:26.560000Z",
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{
"id": "mp-20119",
"created_at": "2022-09-04T14:44:50.078377Z",
"structure_string": "Pt2 O4\n1.0\n4.483783 0.000000 0.000000\n0.000000 4.483783 0.000000\n0.000000 0.000000 4.483783\nPt O\n2 4\ndirect\n0.000000 0.000000 0.000000 Pt\n0.500000 0.500000 0.500000 Pt\n0.750000 0.250000 0.250000 O\n0.250000 0.250000 0.750000 O\n0.750000 0.750000 0.750000 O\n0.250000 0.750000 0.250000 O\n",
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"volume": 90.14336336477501,
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"formula_full": "Pt2 O4",
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{
"id": "mp-867107",
"created_at": "2022-09-04T14:44:21.433884Z",
"structure_string": "Be1 Si1 Os2\n1.0\n0.000000 2.886222 2.886222\n2.886222 0.000000 2.886222\n2.886222 2.886222 0.000000\nBe Si Os\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Be\n0.000000 0.000000 0.000000 Si\n0.750000 0.750000 0.750000 Os\n0.250000 0.250000 0.250000 Os\n",
"nsites": 4,
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"density": 14.419373175751833,
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"volume": 48.08605998809563,
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"formula_full": "Be1 Si1 Os2",
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"energy": -32.73120951,
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"updated_at": "2021-11-28T01:36:33.015000Z",
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{
"id": "mp-1224845",
"created_at": "2022-09-04T14:42:15.817027Z",
"structure_string": "Ga2 Ag2 Se2 S2\n1.0\n-2.935129 2.988190 5.464828\n2.935129 -2.988190 5.464828\n2.935129 2.988190 -5.464828\nGa Ag Se S\n2 2 2 2\ndirect\n0.131513 0.381513 0.750000 Ga\n0.368487 0.118487 0.250000 Ga\n0.633866 0.883866 0.750000 Ag\n0.866134 0.616134 0.250000 Ag\n0.250000 0.030155 0.780155 Se\n0.750000 0.469845 0.719845 Se\n0.459988 0.750000 0.209988 S\n0.040012 0.250000 0.290012 S\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "Ag-Ga-S-Se",
"density": 4.999515362109433,
"density_atomic": 0.04172708982075154,
"volume": 191.7219732879975,
"volume_molar": 14.432208874066013,
"formula_full": "Ga2 Ag2 Se2 S2",
"formula_reduced": "GaAgSeS",
"formula_anonymous": "ABCD",
"energy": -32.72970943,
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"updated_at": "2021-11-28T01:35:41.160000Z",
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}
]
}