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=-nsites&page=12092",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nsites&page=12090",
"results": [
{
"id": "mp-22925",
"created_at": "2022-09-04T14:39:23.873015Z",
"structure_string": "Ag1 I1\n1.0\n0.000000 3.320466 3.320466\n3.320466 0.000000 3.320466\n3.320466 3.320466 0.000000\nAg I\n1 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.750000 0.750000 0.750000 I\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ag",
"I"
],
"chemical_system": "Ag-I",
"density": 5.324385940884999,
"density_atomic": 0.027315105806527826,
"volume": 73.21955895634991,
"volume_molar": 22.04692452101289,
"formula_full": "Ag1 I1",
"formula_reduced": "AgI",
"formula_anonymous": "AB",
"energy": -5.29759529,
"energy_per_atom": -2.648797645,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.91859529,
"band_gap": 1.3674,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0006891,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:37.649000Z",
"spacegroup": 216
},
{
"id": "mp-1253",
"created_at": "2022-09-04T14:39:24.206204Z",
"structure_string": "Ba1 Se1\n1.0\n0.000000 3.343309 3.343309\n3.343309 0.000000 3.343309\n3.343309 3.343309 0.000000\nBa Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Se\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ba",
"Se"
],
"chemical_system": "Ba-Se",
"density": 4.805294025439946,
"density_atomic": 0.026759035008471876,
"volume": 74.74111078246291,
"volume_molar": 22.50507448453727,
"formula_full": "Ba1 Se1",
"formula_reduced": "BaSe",
"formula_anonymous": "AB",
"energy": -9.98240794,
"energy_per_atom": -4.99120397,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.51040794,
"band_gap": 1.9488,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.6e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:27.778000Z",
"spacegroup": 225
},
{
"id": "mp-1017519",
"created_at": "2022-09-04T14:39:15.027933Z",
"structure_string": "Ir1 C1\n1.0\n2.730070 0.000000 0.000000\n0.000000 2.730070 0.000000\n0.000000 0.000000 2.730070\nIr C\n1 1\ndirect\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.500000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ir",
"C"
],
"chemical_system": "C-Ir",
"density": 16.666422834774416,
"density_atomic": 0.09828984443478982,
"volume": 20.347982149131344,
"volume_molar": 6.126920634201814,
"formula_full": "Ir1 C1",
"formula_reduced": "IrC",
"formula_anonymous": "AB",
"energy": -14.73315976,
"energy_per_atom": -7.36657988,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.73315976,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018188,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.776000Z",
"spacegroup": 221
},
{
"id": "mp-1428312",
"created_at": "2022-09-04T14:39:25.250695Z",
"structure_string": "Ag1 N1\n1.0\n2.874302 0.000000 0.000000\n0.000000 2.874302 0.000000\n0.000000 0.000000 2.874302\nAg N\n1 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ag",
"N"
],
"chemical_system": "Ag-N",
"density": 8.522483686675045,
"density_atomic": 0.08422340679450355,
"volume": 23.746367858044433,
"volume_molar": 7.150198488994165,
"formula_full": "Ag1 N1",
"formula_reduced": "AgN",
"formula_anonymous": "AB",
"energy": -7.86533415,
"energy_per_atom": -3.932667075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.50433415,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0067057,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.241000Z",
"spacegroup": 221
},
{
"id": "mp-1227938",
"created_at": "2022-09-04T14:39:25.300188Z",
"structure_string": "Ba1 Ca1\n1.0\n3.001579 -3.155770 0.000000\n3.001579 3.155770 0.000000\n0.000000 0.000000 5.586277\nBa Ca\n1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ca\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ba",
"Ca"
],
"chemical_system": "Ba-Ca",
"density": 2.7836034712504993,
"density_atomic": 0.018898285763860254,
"volume": 105.82970460869306,
"volume_molar": 31.86606888713852,
"formula_full": "Ba1 Ca1",
"formula_reduced": "BaCa",
"formula_anonymous": "AB",
"energy": -3.8429926,
"energy_per_atom": -1.9214963,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.8429926,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010957,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.459000Z",
"spacegroup": 65
},
{
"id": "mp-1018028",
"created_at": "2022-09-04T14:39:23.990094Z",
"structure_string": "Ti1 S1\n1.0\n1.636941 -2.835264 0.000000\n1.636941 2.835264 0.000000\n0.000000 0.000000 3.219077\nTi S\n1 1\ndirect\n0.666667 0.333333 0.000000 Ti\n0.000000 0.000000 0.500000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 4.442034081440435,
"density_atomic": 0.06693327955861489,
"volume": 29.880502093858375,
"volume_molar": 8.997229479434495,
"formula_full": "Ti1 S1",
"formula_reduced": "TiS",
"formula_anonymous": "AB",
"energy": -15.47160823,
"energy_per_atom": -7.735804115,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.96860823,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003947,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:29.546000Z",
"spacegroup": 187
},
{
"id": "mp-8455",
"created_at": "2022-09-04T14:39:17.428050Z",
"structure_string": "Cs1 F1\n1.0\n3.702137 0.000000 0.000000\n0.000000 3.702137 0.000000\n0.000000 0.000000 3.702137\nCs F\n1 1\ndirect\n0.000000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 F\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cs",
"F"
],
"chemical_system": "Cs-F",
"density": 4.971190832709703,
"density_atomic": 0.039415998929108284,
"volume": 50.74081729089509,
"volume_molar": 15.278417200160604,
"formula_full": "Cs1 F1",
"formula_reduced": "CsF",
"formula_anonymous": "AB",
"energy": -8.274506070000001,
"energy_per_atom": -4.1372530350000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.81250607,
"band_gap": 5.938,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0004174,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:42.350000Z",
"spacegroup": 221
},
{
"id": "mp-568705",
"created_at": "2022-09-04T14:39:15.015610Z",
"structure_string": "Yb1 Ir1\n1.0\n3.356108 0.000000 0.000000\n0.000000 3.356108 0.000000\n0.000000 0.000000 3.356108\nYb Ir\n1 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Ir\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Yb",
"Ir"
],
"chemical_system": "Ir-Yb",
"density": 16.045005160763655,
"density_atomic": 0.05290810558397884,
"volume": 37.80139125989841,
"volume_molar": 11.382264954547098,
"formula_full": "Yb1 Ir1",
"formula_reduced": "YbIr",
"formula_anonymous": "AB",
"energy": -11.01651831,
"energy_per_atom": -5.508259155,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.01651831,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0019766,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:34.128000Z",
"spacegroup": 221
},
{
"id": "mp-937760",
"created_at": "2022-09-04T14:39:20.837641Z",
"structure_string": "C2\n1.0\n0.000000 2.137467 3.990014\n1.234035 0.000000 3.990014\n1.234035 2.137467 0.000000\nC\n2\ndirect\n0.666666 0.333334 0.666666 C\n0.333334 0.666666 0.333334 C\n",
"nsites": 2,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 1.895030051680634,
"density_atomic": 0.09501642468461158,
"volume": 21.0489923888276,
"volume_molar": 6.337999751084422,
"formula_full": "C2",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -18.44521853,
"energy_per_atom": -9.222609265,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.44521853,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.34e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.049000Z",
"spacegroup": 69
},
{
"id": "mp-1061298",
"created_at": "2022-09-04T14:39:22.023188Z",
"structure_string": "N2\n1.0\n1.259737 -2.181928 0.000000\n1.259737 2.181928 0.000000\n0.000000 0.000000 2.446002\nN\n2\ndirect\n0.333333 0.666667 0.250000 N\n0.666667 0.333333 0.750000 N\n",
"nsites": 2,
"nelements": 1,
"elements": [
"N"
],
"chemical_system": "N",
"density": 3.4594560356260002,
"density_atomic": 0.14873832670629697,
"volume": 13.446433372544645,
"volume_molar": 4.048815724471268,
"formula_full": "N2",
"formula_reduced": "N",
"formula_anonymous": "A",
"energy": -9.41235188,
"energy_per_atom": -4.70617594,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.41235188,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.1e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:35.416000Z",
"spacegroup": 194
},
{
"id": "mp-2807",
"created_at": "2022-09-04T14:47:07.088384Z",
"structure_string": "Sc1 P1\n1.0\n0.000000 2.658474 2.658474\n2.658474 0.000000 2.658474\n2.658474 2.658474 0.000000\nSc P\n1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 P\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sc",
"P"
],
"chemical_system": "P-Sc",
"density": 3.355315671642028,
"density_atomic": 0.05322341638354738,
"volume": 37.57744496496184,
"volume_molar": 11.314833149007672,
"formula_full": "Sc1 P1",
"formula_reduced": "ScP",
"formula_anonymous": "AB",
"energy": -14.7275254,
"energy_per_atom": -7.3637627,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.7275254,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024741,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:57.602000Z",
"spacegroup": 225
},
{
"id": "mp-10143",
"created_at": "2022-09-04T14:47:04.361941Z",
"structure_string": "Ti1 B1\n1.0\n0.000000 2.481182 2.481182\n2.481182 0.000000 2.481182\n2.481182 2.481182 0.000000\nTi B\n1 1\ndirect\n0.750000 0.750000 0.750000 Ti\n0.000000 0.000000 0.000000 B\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ti",
"B"
],
"chemical_system": "B-Ti",
"density": 3.189470128017292,
"density_atomic": 0.06546725541897486,
"volume": 30.549623429307918,
"volume_molar": 9.19870662281431,
"formula_full": "Ti1 B1",
"formula_reduced": "TiB",
"formula_anonymous": "AB",
"energy": -13.13342857,
"energy_per_atom": -6.566714285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.13342857,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0071934,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:51.543000Z",
"spacegroup": 216
}
]
}