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=-elements&page=11542",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-elements&page=11540",
"results": [
{
"id": "mp-1184777",
"created_at": "2022-09-04T14:41:36.172389Z",
"structure_string": "Ir3 Pb1\n1.0\n4.052025 0.000000 0.000000\n0.000000 4.052025 0.000000\n0.000000 0.000000 4.052025\nIr Pb\n3 1\ndirect\n0.000000 0.500000 0.500000 Ir\n0.500000 0.000000 0.500000 Ir\n0.500000 0.500000 0.000000 Ir\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ir",
"Pb"
],
"chemical_system": "Ir-Pb",
"density": 19.564387932111345,
"density_atomic": 0.060123415318031476,
"volume": 66.52982001839754,
"volume_molar": 10.016298522206394,
"formula_full": "Ir3 Pb1",
"formula_reduced": "Ir3Pb",
"formula_anonymous": "AB3",
"energy": -28.44264908,
"energy_per_atom": -7.11066227,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.44264908,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004661,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.049000Z",
"spacegroup": 221
},
{
"id": "mp-1184797",
"created_at": "2022-09-04T14:42:00.780111Z",
"structure_string": "Ir3 Pb1\n1.0\n-2.061215 2.061215 3.916134\n2.061215 -2.061215 3.916134\n2.061215 2.061215 -3.916134\nIr Pb\n3 1\ndirect\n0.750000 0.250000 0.500000 Ir\n0.250000 0.750000 0.500000 Ir\n0.500000 0.500000 0.000000 Ir\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ir",
"Pb"
],
"chemical_system": "Ir-Pb",
"density": 19.55773199139217,
"density_atomic": 0.06010296091436806,
"volume": 66.55246162828844,
"volume_molar": 10.019707296251294,
"formula_full": "Ir3 Pb1",
"formula_reduced": "Ir3Pb",
"formula_anonymous": "AB3",
"energy": -28.38348131,
"energy_per_atom": -7.0958703275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.38348131,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0583474,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:38.331000Z",
"spacegroup": 139
},
{
"id": "mp-510198",
"created_at": "2022-09-04T14:44:53.149235Z",
"structure_string": "Ir2 Pb2\n1.0\n2.098942 -3.635474 0.000000\n2.098942 3.635474 0.000000\n0.000000 0.000000 5.675729\nIr Pb\n2 2\ndirect\n0.000000 0.000000 0.000000 Ir\n0.000000 0.000000 0.500000 Ir\n0.333333 0.666667 0.250000 Pb\n0.666667 0.333333 0.750000 Pb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ir",
"Pb"
],
"chemical_system": "Ir-Pb",
"density": 15.314136400821955,
"density_atomic": 0.04617924878283107,
"volume": 86.61899241390768,
"volume_molar": 13.040794120148105,
"formula_full": "Ir2 Pb2",
"formula_reduced": "IrPb",
"formula_anonymous": "AB",
"energy": -24.11705601,
"energy_per_atom": -6.0292640025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.11705601,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.13e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:45.164000Z",
"spacegroup": 194
},
{
"id": "mp-1223677",
"created_at": "2022-09-04T14:47:19.182823Z",
"structure_string": "Ir4 Os1\n1.0\n11.220786 -1.367909 0.000000\n11.220786 1.367909 0.000000\n11.054027 0.000000 2.363411\nIr Os\n4 1\ndirect\n0.600791 0.600791 0.600791 Ir\n0.199711 0.199711 0.199711 Ir\n0.800289 0.800289 0.800289 Ir\n0.399209 0.399209 0.399209 Ir\n0.000000 0.000000 0.000000 Os\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Ir",
"Os"
],
"chemical_system": "Ir-Os",
"density": 21.951406288694855,
"density_atomic": 0.06891603287471833,
"volume": 72.55205779313275,
"volume_molar": 8.738374089158008,
"formula_full": "Ir4 Os1",
"formula_reduced": "Ir4Os",
"formula_anonymous": "AB4",
"energy": -46.44817809,
"energy_per_atom": -9.289635618,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.44817809,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:07.569000Z",
"spacegroup": 166
},
{
"id": "mp-1223655",
"created_at": "2022-09-04T14:39:57.982274Z",
"structure_string": "Ir1 Os1\n1.0\n1.378561 -2.387738 0.000000\n1.378561 2.387738 0.000000\n0.000000 0.000000 4.390348\nIr Os\n1 1\ndirect\n0.666667 0.333333 0.500000 Ir\n0.333333 0.666667 0.000000 Os\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ir",
"Os"
],
"chemical_system": "Ir-Os",
"density": 21.972463686987922,
"density_atomic": 0.06919717985119886,
"volume": 28.902912001627616,
"volume_molar": 8.702870222384743,
"formula_full": "Ir1 Os1",
"formula_reduced": "IrOs",
"formula_anonymous": "AB",
"energy": -20.03364689,
"energy_per_atom": -10.016823445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.03364689,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005855,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.114000Z",
"spacegroup": 187
},
{
"id": "mp-1184761",
"created_at": "2022-09-04T14:39:16.312639Z",
"structure_string": "Ir3 Os1\n1.0\n3.869663 0.000000 0.000000\n0.000000 3.869663 0.000000\n0.000000 0.000000 3.869663\nIr Os\n3 1\ndirect\n0.000000 0.500000 0.500000 Ir\n0.500000 0.500000 0.000000 Ir\n0.500000 0.000000 0.500000 Ir\n0.000000 0.000000 0.000000 Os\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ir",
"Os"
],
"chemical_system": "Ir-Os",
"density": 21.976455121748085,
"density_atomic": 0.06903042646497988,
"volume": 57.94546267259782,
"volume_molar": 8.723893315442746,
"formula_full": "Ir3 Os1",
"formula_reduced": "Ir3Os",
"formula_anonymous": "AB3",
"energy": -37.65596041,
"energy_per_atom": -9.4139901025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.65596041,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001613,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.322000Z",
"spacegroup": 221
},
{
"id": "mp-1021489",
"created_at": "2022-09-04T14:42:57.405869Z",
"structure_string": "Ir1 O3\n1.0\n3.790923 0.000000 0.000000\n0.000000 3.790923 0.000000\n0.000000 0.000000 3.790923\nIr O\n1 3\ndirect\n0.500000 0.500000 0.500000 Ir\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ir",
"O"
],
"chemical_system": "Ir-O",
"density": 7.321746567413168,
"density_atomic": 0.07342181253017525,
"volume": 54.47972288011905,
"volume_molar": 8.202113993746739,
"formula_full": "Ir1 O3",
"formula_reduced": "IrO3",
"formula_anonymous": "AB3",
"energy": -27.15407626,
"energy_per_atom": -6.788519065,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.09307626,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009396,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:07.872000Z",
"spacegroup": 221
},
{
"id": "mp-1014261",
"created_at": "2022-09-04T14:44:11.883743Z",
"structure_string": "Ir2 O4\n1.0\n-1.962624 1.962624 4.890292\n1.962624 -1.962624 4.890292\n1.962624 1.962624 -4.890292\nIr O\n2 4\ndirect\n0.000000 0.000000 0.000000 Ir\n0.750000 0.250000 0.500000 Ir\n0.959604 0.459604 0.500000 O\n0.209604 0.209604 0.000000 O\n0.540396 0.040396 0.500000 O\n0.790396 0.790396 0.000000 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ir",
"O"
],
"chemical_system": "Ir-O",
"density": 9.882715940690662,
"density_atomic": 0.07963101597635243,
"volume": 75.34752541373811,
"volume_molar": 7.56255673265347,
"formula_full": "Ir2 O4",
"formula_reduced": "IrO2",
"formula_anonymous": "AB2",
"energy": -43.4546869,
"energy_per_atom": -7.242447816666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.7066869,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002411,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:32.516000Z",
"spacegroup": 141
},
{
"id": "mp-2723",
"created_at": "2022-09-04T14:48:09.956597Z",
"structure_string": "Ir2 O4\n1.0\n4.544939 0.000000 0.000000\n0.000000 4.544939 0.000000\n0.000000 0.000000 3.189507\nIr O\n2 4\ndirect\n0.500000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n0.691646 0.691646 0.000000 O\n0.191646 0.808354 0.500000 O\n0.308354 0.308354 0.000000 O\n0.808354 0.191646 0.500000 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ir",
"O"
],
"chemical_system": "Ir-O",
"density": 11.302268731684567,
"density_atomic": 0.09106921086703865,
"volume": 65.88395729880673,
"volume_molar": 6.61270774465406,
"formula_full": "Ir2 O4",
"formula_reduced": "IrO2",
"formula_anonymous": "AB2",
"energy": -45.03406943,
"energy_per_atom": -7.505678238333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.28606943,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003565,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:26.921000Z",
"spacegroup": 136
},
{
"id": "mp-1095353",
"created_at": "2022-09-04T14:40:34.857673Z",
"structure_string": "Ir4 O8\n1.0\n4.942579 0.000000 0.000000\n0.000000 4.942579 0.000000\n0.000000 0.000000 4.942579\nIr O\n4 8\ndirect\n0.500000 0.500000 0.000000 Ir\n0.500000 0.000000 0.500000 Ir\n0.000000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n0.152166 0.847834 0.347834 O\n0.847834 0.347834 0.152166 O\n0.347834 0.152166 0.847834 O\n0.652166 0.652166 0.652166 O\n0.847834 0.152166 0.652166 O\n0.152166 0.652166 0.847834 O\n0.652166 0.847834 0.152166 O\n0.347834 0.347834 0.347834 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ir",
"O"
],
"chemical_system": "Ir-O",
"density": 12.334298175825278,
"density_atomic": 0.09938489591228662,
"volume": 120.7426932417452,
"volume_molar": 6.059412453694086,
"formula_full": "Ir4 O8",
"formula_reduced": "IrO2",
"formula_anonymous": "AB2",
"energy": -88.91846297,
"energy_per_atom": -7.409871914166666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -83.42246297,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.304481,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:04.267000Z",
"spacegroup": 205
},
{
"id": "mp-1097041",
"created_at": "2022-09-04T14:48:03.036889Z",
"structure_string": "Ir4 O12\n1.0\n3.567058 -3.647452 0.000000\n3.567058 3.647452 0.000000\n0.000000 0.000000 7.341321\nIr O\n4 12\ndirect\n0.000000 0.500000 0.500000 Ir\n0.500000 0.000000 0.500000 Ir\n0.000000 0.500000 0.000000 Ir\n0.500000 0.000000 0.000000 Ir\n0.329141 0.329141 0.500000 O\n0.670859 0.670859 0.000000 O\n0.670859 0.670859 0.500000 O\n0.329141 0.329141 0.000000 O\n0.171579 0.828421 0.073701 O\n0.828421 0.171579 0.926299 O\n0.828421 0.171579 0.573701 O\n0.171579 0.828421 0.426299 O\n0.051870 0.597993 0.750000 O\n0.402007 0.948130 0.750000 O\n0.948130 0.402007 0.250000 O\n0.597993 0.051870 0.250000 O\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Ir",
"O"
],
"chemical_system": "Ir-O",
"density": 8.352290813421813,
"density_atomic": 0.08375601704515485,
"volume": 191.03105143328415,
"volume_molar": 7.190099257887731,
"formula_full": "Ir4 O12",
"formula_reduced": "IrO3",
"formula_anonymous": "AB3",
"energy": -110.44442986,
"energy_per_atom": -6.90277686625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -102.20042986,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.064868,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:25.790000Z",
"spacegroup": 63
},
{
"id": "mp-1022963",
"created_at": "2022-09-04T14:41:30.195746Z",
"structure_string": "Ir2 O6\n1.0\n3.676735 -3.686244 0.000000\n3.676735 3.686244 0.000000\n0.000000 0.000000 3.763251\nIr O\n2 6\ndirect\n0.496631 0.007433 0.500000 Ir\n0.992567 0.503369 0.500000 Ir\n0.175779 0.824221 0.500000 O\n0.667925 0.669632 0.500000 O\n0.330368 0.332075 0.500000 O\n0.837548 0.162452 0.500000 O\n0.501163 0.003060 0.000000 O\n0.996940 0.498837 0.000000 O\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ir",
"O"
],
"chemical_system": "Ir-O",
"density": 7.82059846554079,
"density_atomic": 0.07842425425735304,
"volume": 102.00925817856817,
"volume_molar": 7.6789263946814845,
"formula_full": "Ir2 O6",
"formula_reduced": "IrO3",
"formula_anonymous": "AB3",
"energy": -54.8714641,
"energy_per_atom": -6.8589330125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -50.7494641,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008778,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.528000Z",
"spacegroup": 38
}
]
}