HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_uncorrected&page=11542",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_uncorrected&page=11540",
"results": [
{
"id": "mp-1179643",
"created_at": "2022-09-04T14:40:22.936907Z",
"structure_string": "S4\n1.0\n5.301813 0.000000 0.000000\n0.000000 3.724122 0.000000\n0.000000 0.286364 7.972537\nS\n4\ndirect\n0.340245 0.525169 0.254467 S\n0.159755 0.025169 0.254467 S\n0.659755 0.474831 0.745533 S\n0.840245 0.974831 0.745533 S\n",
"nsites": 4,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 1.3529927957937211,
"density_atomic": 0.025410613024642037,
"volume": 157.41454155871742,
"volume_molar": 23.69931317343665,
"formula_full": "S4",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy": -15.15217133,
"energy_per_atom": -3.7880428325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.15217133,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0127636,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.345000Z",
"spacegroup": 14
},
{
"id": "mp-2061",
"created_at": "2022-09-04T14:45:37.901393Z",
"structure_string": "Th1 Tl3\n1.0\n4.841818 0.000000 0.000000\n0.000000 4.841818 0.000000\n0.000000 0.000000 4.841818\nTh Tl\n1 3\ndirect\n0.000000 0.000000 0.000000 Th\n0.500000 0.000000 0.500000 Tl\n0.000000 0.500000 0.500000 Tl\n0.500000 0.500000 0.000000 Tl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Th",
"Tl"
],
"chemical_system": "Th-Tl",
"density": 12.364513050892521,
"density_atomic": 0.03523989529953261,
"volume": 113.5077152188092,
"volume_molar": 17.08898595984158,
"formula_full": "Th1 Tl3",
"formula_reduced": "ThTl3",
"formula_anonymous": "AB3",
"energy": -15.15059102,
"energy_per_atom": -3.787647755,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.15059102,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0021339,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:03.042000Z",
"spacegroup": 221
},
{
"id": "mp-867260",
"created_at": "2022-09-04T14:41:16.859879Z",
"structure_string": "Cd1 Ag1 Pd2\n1.0\n0.000000 3.249362 3.249362\n3.249362 0.000000 3.249362\n3.249362 3.249362 0.000000\nCd Ag Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Ag\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cd",
"Ag",
"Pd"
],
"chemical_system": "Ag-Cd-Pd",
"density": 10.481712569615045,
"density_atomic": 0.058295590241113145,
"volume": 68.61582468683862,
"volume_molar": 10.330353865690627,
"formula_full": "Cd1 Ag1 Pd2",
"formula_reduced": "CdAgPd2",
"formula_anonymous": "ABC2",
"energy": -15.14845138,
"energy_per_atom": -3.787112845,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.14845138,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.9e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.806000Z",
"spacegroup": 225
},
{
"id": "mp-9281",
"created_at": "2022-09-04T14:43:59.293865Z",
"structure_string": "Zn3 Te3\n1.0\n2.174514 -3.766369 0.000000\n2.174514 3.766369 0.000000\n0.000000 0.000000 9.775960\nZn Te\n3 3\ndirect\n0.500000 0.000000 0.000000 Zn\n0.000000 0.500000 0.333333 Zn\n0.500000 0.500000 0.666667 Zn\n0.500000 0.000000 0.500000 Te\n0.000000 0.500000 0.833333 Te\n0.500000 0.500000 0.166667 Te\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Zn",
"Te"
],
"chemical_system": "Te-Zn",
"density": 6.004452679060092,
"density_atomic": 0.0374694021859654,
"volume": 160.13065728194002,
"volume_molar": 16.072155969052698,
"formula_full": "Zn3 Te3",
"formula_reduced": "ZnTe",
"formula_anonymous": "AB",
"energy": -16.41336608,
"energy_per_atom": -2.7355610133333332,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.14736608,
"band_gap": 0.3205999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:11.995000Z",
"spacegroup": 181
},
{
"id": "mp-1064933",
"created_at": "2022-09-04T14:48:13.778842Z",
"structure_string": "S4\n1.0\n5.852053 0.000000 0.000000\n0.000000 5.852053 0.000000\n0.000000 0.000000 2.988537\nS\n4\ndirect\n0.385579 0.385579 0.500000 S\n0.614421 0.614421 0.500000 S\n0.114421 0.885579 0.000000 S\n0.885579 0.114421 0.000000 S\n",
"nsites": 4,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 2.0809670063796375,
"density_atomic": 0.03908272644211678,
"volume": 102.34700503620633,
"volume_molar": 15.408701767311584,
"formula_full": "S4",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy": -15.14713943,
"energy_per_atom": -3.7867848575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.14713943,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.55e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:39.258000Z",
"spacegroup": 136
},
{
"id": "mp-1093570",
"created_at": "2022-09-04T14:41:56.438844Z",
"structure_string": "Li1 Fe1 Pt2\n1.0\n-4.763300 5.240729 7.410670\n4.763300 -5.240729 7.410670\n4.763300 5.240729 -7.410670\nLi Fe Pt\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Fe\n0.000000 0.265749 0.265749 Pt\n0.000000 0.734251 0.734251 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Fe",
"Pt"
],
"chemical_system": "Fe-Li-Pt",
"density": 1.0164501710885967,
"density_atomic": 0.005405587329342026,
"volume": 739.9750954512624,
"volume_molar": 111.40585459254845,
"formula_full": "Li1 Fe1 Pt2",
"formula_reduced": "LiFePt2",
"formula_anonymous": "ABC2",
"energy": -15.14696619,
"energy_per_atom": -3.7867415475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.14696619,
"band_gap": 0.7612999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0000114,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.587000Z",
"spacegroup": 71
},
{
"id": "mp-974221",
"created_at": "2022-09-04T14:47:38.562125Z",
"structure_string": "Ho1 Er1 Tl2\n1.0\n0.000000 3.777720 3.777720\n3.777720 0.000000 3.777720\n3.777720 3.777720 0.000000\nHo Er Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ho\n0.500000 0.500000 0.500000 Er\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750000 0.750000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ho",
"Er",
"Tl"
],
"chemical_system": "Er-Ho-Tl",
"density": 11.410959864919207,
"density_atomic": 0.0370971631008774,
"volume": 107.8249565640073,
"volume_molar": 16.233426646733445,
"formula_full": "Ho1 Er1 Tl2",
"formula_reduced": "HoErTl2",
"formula_anonymous": "ABC2",
"energy": -15.14622517,
"energy_per_atom": -3.7865562925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.14622517,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002219,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:19.026000Z",
"spacegroup": 225
},
{
"id": "mp-1039347",
"created_at": "2022-09-04T14:42:08.282923Z",
"structure_string": "Sn1 Bi3\n1.0\n-2.350581 2.350581 5.664045\n2.350581 -2.350581 5.664045\n2.350581 2.350581 -5.664045\nSn Bi\n1 3\ndirect\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.000000 Bi\n0.250000 0.750000 0.500000 Bi\n0.750000 0.250000 0.500000 Bi\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sn",
"Bi"
],
"chemical_system": "Bi-Sn",
"density": 9.891170528977836,
"density_atomic": 0.03195382571757569,
"volume": 125.18062892856877,
"volume_molar": 18.846384195829227,
"formula_full": "Sn1 Bi3",
"formula_reduced": "SnBi3",
"formula_anonymous": "AB3",
"energy": -15.1453363,
"energy_per_atom": -3.786334075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.1453363,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.006868,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.323000Z",
"spacegroup": 139
},
{
"id": "mp-1068042",
"created_at": "2022-09-04T14:44:27.658693Z",
"structure_string": "Yb1 Mg2 Bi2\n1.0\n2.394772 -4.147868 0.000000\n2.394772 4.147868 0.000000\n0.000000 0.000000 7.700250\nYb Mg Bi\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.333333 0.666667 0.370442 Mg\n0.666667 0.333333 0.629558 Mg\n0.333333 0.666667 0.761342 Bi\n0.666667 0.333333 0.238658 Bi\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Yb",
"Mg",
"Bi"
],
"chemical_system": "Bi-Mg-Yb",
"density": 6.942900892473457,
"density_atomic": 0.03268481901154094,
"volume": 152.97621804895144,
"volume_molar": 18.424886360464765,
"formula_full": "Yb1 Mg2 Bi2",
"formula_reduced": "Yb(MgBi)2",
"formula_anonymous": "AB2C2",
"energy": -15.144940170000002,
"energy_per_atom": -3.028988034,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.144940170000002,
"band_gap": 0.2732000000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 8.8e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:38.059000Z",
"spacegroup": 164
},
{
"id": "mp-1079298",
"created_at": "2022-09-04T14:43:11.118755Z",
"structure_string": "Na4 Tl4\n1.0\n2.651991 -4.593383 0.000000\n2.651991 4.593383 0.000000\n0.000000 0.000000 10.330233\nNa Tl\n4 4\ndirect\n0.333333 0.666667 0.421811 Na\n0.666667 0.333333 0.578189 Na\n0.666667 0.333333 0.921811 Na\n0.333333 0.666667 0.078189 Na\n0.000000 0.000000 0.250000 Tl\n0.000000 0.000000 0.750000 Tl\n0.333333 0.666667 0.750000 Tl\n0.666667 0.333333 0.250000 Tl\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Na",
"Tl"
],
"chemical_system": "Na-Tl",
"density": 6.000719074271595,
"density_atomic": 0.031786679973490904,
"volume": 251.67774698936,
"volume_molar": 18.9454852316199,
"formula_full": "Na4 Tl4",
"formula_reduced": "NaTl",
"formula_anonymous": "AB",
"energy": -15.14369468,
"energy_per_atom": -1.892961835,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.14369468,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004997,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:58.300000Z",
"spacegroup": 194
},
{
"id": "mp-1185869",
"created_at": "2022-09-04T14:43:39.568003Z",
"structure_string": "Mg1 Ge3\n1.0\n-1.876784 2.054806 5.217816\n1.876784 -2.054806 5.217816\n1.876784 2.054806 -5.217816\nMg Ge\n1 3\ndirect\n0.209423 0.500000 0.709423 Mg\n0.736050 0.774082 0.961969 Ge\n0.187887 0.225918 0.961969 Ge\n0.699973 0.000000 0.699973 Ge\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Ge"
],
"chemical_system": "Ge-Mg",
"density": 4.99728585899461,
"density_atomic": 0.0496965364784362,
"volume": 80.4885065126347,
"volume_molar": 12.11782789453157,
"formula_full": "Mg1 Ge3",
"formula_reduced": "MgGe3",
"formula_anonymous": "AB3",
"energy": -15.14321191,
"energy_per_atom": -3.7858029775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.14321191,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.7e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:15.643000Z",
"spacegroup": 44
},
{
"id": "mp-865660",
"created_at": "2022-09-04T14:44:04.179512Z",
"structure_string": "Yb2 Ag1 Pt1\n1.0\n0.000000 3.533334 3.533334\n3.533334 0.000000 3.533334\n3.533334 3.533334 0.000000\nYb Ag Pt\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Yb\n0.750000 0.750000 0.750000 Yb\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Ag",
"Pt"
],
"chemical_system": "Ag-Pt-Yb",
"density": 12.216063119861936,
"density_atomic": 0.0453394156199193,
"volume": 88.2234573451946,
"volume_molar": 13.282351961665446,
"formula_full": "Yb2 Ag1 Pt1",
"formula_reduced": "Yb2AgPt",
"formula_anonymous": "ABC2",
"energy": -15.14170524,
"energy_per_atom": -3.78542631,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.14170524,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000856,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:21.644000Z",
"spacegroup": 225
}
]
}