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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy&page=12145",
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"results": [
{
"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,
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"elements": [
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"chemical_system": "Ca-Ga-Tl",
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"density_atomic": 0.002215572103730671,
"volume": 1805.4027640376207,
"volume_molar": 271.80973933819047,
"formula_full": "Ca2 Tl1 Ga1",
"formula_reduced": "Ca2TlGa",
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{
"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,
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"elements": [
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"chemical_system": "Cd-K",
"density": 1.8081506460964707,
"density_atomic": 0.018961528998325032,
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"formula_full": "K3 Cd1",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:52.093000Z",
"spacegroup": 221
},
{
"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,
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"elements": [
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],
"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,
"is_stable": null,
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"formation_energy_per_atom": null,
"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-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,
"nelements": 3,
"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,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.14356372,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.6897848,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.564000Z",
"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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"Cd"
],
"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,
"energy_per_atom": -1.0354621225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -4.14184849,
"band_gap": 0.0,
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"total_magnetization": 0.0048813,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:27.034000Z",
"spacegroup": 225
},
{
"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,
"nelements": 3,
"elements": [
"Sc",
"Zn",
"Cd"
],
"chemical_system": "Cd-Sc-Zn",
"density": 0.48231722767821117,
"density_atomic": 0.004031553514578053,
"volume": 992.1733608486267,
"volume_molar": 149.37519093381758,
"formula_full": "Sc1 Zn2 Cd1",
"formula_reduced": "ScZn2Cd",
"formula_anonymous": "ABC2",
"energy": -4.13688763,
"energy_per_atom": -1.0342219075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.13688763,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0140606,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.262000Z",
"spacegroup": 71
},
{
"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,
"nelements": 3,
"elements": [
"Y",
"Zn",
"Cd"
],
"chemical_system": "Cd-Y-Zn",
"density": 0.4729433433547035,
"density_atomic": 0.0034300903818690366,
"volume": 1166.150029498763,
"volume_molar": 175.56799062299257,
"formula_full": "Y1 Zn2 Cd1",
"formula_reduced": "YZn2Cd",
"formula_anonymous": "ABC2",
"energy": -4.1365237,
"energy_per_atom": -1.034130925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.1365237,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 2.0002399,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:28.384000Z",
"spacegroup": 71
},
{
"id": "mp-1215437",
"created_at": "2022-09-04T14:43:21.242319Z",
"structure_string": "Zn1 Ag1\n1.0\n1.551333 -2.380437 0.000000\n1.551333 2.380437 0.000000\n0.000000 0.000000 4.524637\nZn Ag\n1 1\ndirect\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zn",
"Ag"
],
"chemical_system": "Ag-Zn",
"density": 8.610236049105016,
"density_atomic": 0.059848674242722805,
"volume": 33.417615766872004,
"volume_molar": 10.062279300584928,
"formula_full": "Zn1 Ag1",
"formula_reduced": "ZnAg",
"formula_anonymous": "AB",
"energy": -4.12500864,
"energy_per_atom": -2.06250432,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -4.12500864,
"band_gap": 0.0,
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"total_magnetization": 0.0018776,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:15.311000Z",
"spacegroup": 65
},
{
"id": "mp-1097394",
"created_at": "2022-09-04T14:48:15.644719Z",
"structure_string": "La2 Zn1 Cd1\n1.0\n-5.401408 6.148133 8.105306\n5.401408 -6.148133 8.105306\n5.401408 6.148133 -8.105306\nLa Zn Cd\n2 1 1\ndirect\n0.759328 0.000000 0.759328 La\n0.240672 0.000000 0.240672 La\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Zn",
"Cd"
],
"chemical_system": "Cd-La-Zn",
"density": 0.7027205614304561,
"density_atomic": 0.00371518416843499,
"volume": 1076.662641379899,
"volume_molar": 162.0953494355788,
"formula_full": "La2 Zn1 Cd1",
"formula_reduced": "La2ZnCd",
"formula_anonymous": "ABC2",
"energy": -4.12285582,
"energy_per_atom": -1.030713955,
"energy_above_hull": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:38:46.762000Z",
"spacegroup": 71
},
{
"id": "mp-1185554",
"created_at": "2022-09-04T14:39:59.279723Z",
"structure_string": "Cs1 K3\n1.0\n0.000000 5.510101 5.510101\n5.510101 0.000000 5.510101\n5.510101 5.510101 0.000000\nCs K\n1 3\ndirect\n0.000000 0.000000 0.000000 Cs\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 K\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Cs-K",
"density": 1.241733332838156,
"density_atomic": 0.011955047804742125,
"volume": 334.58670055784705,
"volume_molar": 50.37320517958313,
"formula_full": "Cs1 K3",
"formula_reduced": "CsK3",
"formula_anonymous": "AB3",
"energy": -4.1184443,
"energy_per_atom": -1.029611075,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:06.255000Z",
"spacegroup": 225
},
{
"id": "mp-1096179",
"created_at": "2022-09-04T14:43:16.317071Z",
"structure_string": "Ca1 Y1 Mg2\n1.0\n-6.543658 6.635724 9.255505\n6.543658 -6.635724 9.255505\n6.543658 6.635724 -9.255505\nCa Y Mg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.000000 0.500000 Y\n0.259028 0.000000 0.259028 Mg\n0.740972 0.000000 0.740972 Mg\n",
"nsites": 4,
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"density": 0.18344589647263626,
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"volume": 1607.5667626443171,
"volume_molar": 242.0248331435397,
"formula_full": "Ca1 Y1 Mg2",
"formula_reduced": "CaYMg2",
"formula_anonymous": "ABC2",
"energy": -4.11685956,
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"updated_at": "2021-11-28T01:36:03.499000Z",
"spacegroup": 71
},
{
"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": [
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"density": 1.4320632796431372,
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"volume": 77.90251040473686,
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"formula_full": "K1 Si1",
"formula_reduced": "KSi",
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"energy": -4.11183863,
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"updated_at": "2021-11-28T01:35:10.581000Z",
"spacegroup": 225
}
]
}