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=12159",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nsites&page=12157",
"results": [
{
"id": "mp-1009734",
"created_at": "2022-09-04T14:39:23.132184Z",
"structure_string": "Rh1 N1\n1.0\n0.000000 2.310869 2.310869\n2.310869 0.000000 2.310869\n2.310869 2.310869 0.000000\nRh N\n1 1\ndirect\n0.000000 0.000000 0.000000 Rh\n0.250000 0.250000 0.250000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Rh",
"N"
],
"chemical_system": "N-Rh",
"density": 7.865982120052272,
"density_atomic": 0.08103525818343693,
"volume": 24.680614893243924,
"volume_molar": 7.431506846523365,
"formula_full": "Rh1 N1",
"formula_reduced": "RhN",
"formula_anonymous": "AB",
"energy": -15.03139511,
"energy_per_atom": -7.515697555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.67039511,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.44e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.141000Z",
"spacegroup": 216
},
{
"id": "mp-1226523",
"created_at": "2022-09-04T14:39:20.169008Z",
"structure_string": "Ce1 Th1\n1.0\n5.735008 -1.724538 0.000000\n5.735008 1.724538 0.000000\n5.216433 0.000000 2.941627\nCe Th\n1 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Th\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ce",
"Th"
],
"chemical_system": "Ce-Th",
"density": 10.62056114196607,
"density_atomic": 0.034372063101613726,
"volume": 58.186789489109906,
"volume_molar": 17.520451833795416,
"formula_full": "Ce1 Th1",
"formula_reduced": "CeTh",
"formula_anonymous": "AB",
"energy": -13.33189994,
"energy_per_atom": -6.66594997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.33189994,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0115125,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.580000Z",
"spacegroup": 166
},
{
"id": "mp-902",
"created_at": "2022-09-04T14:39:18.021922Z",
"structure_string": "Ba1 Zn1\n1.0\n4.121492 0.000000 0.000000\n0.000000 4.121492 0.000000\n0.000000 0.000000 4.121492\nBa Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ba",
"Zn"
],
"chemical_system": "Ba-Zn",
"density": 4.808577139868578,
"density_atomic": 0.02856713006236093,
"volume": 70.01053293187233,
"volume_molar": 21.080664199917532,
"formula_full": "Ba1 Zn1",
"formula_reduced": "BaZn",
"formula_anonymous": "AB",
"energy": -3.51347611,
"energy_per_atom": -1.756738055,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.51347611,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001821,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:25.024000Z",
"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-11388",
"created_at": "2022-09-04T14:39:15.849461Z",
"structure_string": "Ga1 Ir1\n1.0\n3.060466 0.000000 0.000000\n0.000000 3.060466 0.000000\n0.000000 0.000000 3.060466\nGa Ir\n1 1\ndirect\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ir\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ga",
"Ir"
],
"chemical_system": "Ga-Ir",
"density": 15.173586448871912,
"density_atomic": 0.06976977434581454,
"volume": 28.66570830639327,
"volume_molar": 8.631446520310075,
"formula_full": "Ga1 Ir1",
"formula_reduced": "GaIr",
"formula_anonymous": "AB",
"energy": -12.66446758,
"energy_per_atom": -6.33223379,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.66446758,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004901,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:29.688000Z",
"spacegroup": 221
},
{
"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-632319",
"created_at": "2022-09-04T14:39:23.697847Z",
"structure_string": "Cs1 H1\n1.0\n3.858608 0.000000 0.000000\n0.000000 3.858608 0.000000\n0.000000 0.000000 3.858608\nCs H\n1 1\ndirect\n0.000000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 H\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cs",
"H"
],
"chemical_system": "Cs-H",
"density": 3.870625262107667,
"density_atomic": 0.03481272460499825,
"volume": 57.45025770585188,
"volume_molar": 17.29867693014574,
"formula_full": "Cs1 H1",
"formula_reduced": "CsH",
"formula_anonymous": "AB",
"energy": -4.62937664,
"energy_per_atom": -2.31468832,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.45037664,
"band_gap": 2.5693,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002057,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:38.697000Z",
"spacegroup": 221
},
{
"id": "mp-1057125",
"created_at": "2022-09-04T14:39:16.410401Z",
"structure_string": "K1 S1\n1.0\n3.837513 0.000000 0.000000\n0.000000 3.837513 0.000000\n0.000000 0.000000 3.837513\nK S\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"K",
"S"
],
"chemical_system": "K-S",
"density": 2.091007533096517,
"density_atomic": 0.035389988094647745,
"volume": 56.513158316164365,
"volume_molar": 17.01650970860532,
"formula_full": "K1 S1",
"formula_reduced": "KS",
"formula_anonymous": "AB",
"energy": -6.6738243100000005,
"energy_per_atom": -3.3369121550000003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.17082431,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9999239,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.346000Z",
"spacegroup": 221
},
{
"id": "mp-1674",
"created_at": "2022-09-04T14:39:20.675892Z",
"structure_string": "Pr1 Se1\n1.0\n0.000000 3.017326 3.017326\n3.017326 0.000000 3.017326\n3.017326 3.017326 0.000000\nPr Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Se\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pr",
"Se"
],
"chemical_system": "Pr-Se",
"density": 6.645286832055008,
"density_atomic": 0.03640267470638759,
"volume": 54.94101782716145,
"volume_molar": 16.543127142641783,
"formula_full": "Pr1 Se1",
"formula_reduced": "PrSe",
"formula_anonymous": "AB",
"energy": -12.42156292,
"energy_per_atom": -6.21078146,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.94956292,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010738,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:42.990000Z",
"spacegroup": 225
},
{
"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-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-2212",
"created_at": "2022-09-04T14:39:15.886872Z",
"structure_string": "Sc1 Co1\n1.0\n3.119510 0.000000 0.000000\n0.000000 3.119510 0.000000\n0.000000 0.000000 3.119510\nSc Co\n1 1\ndirect\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Co\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sc",
"Co"
],
"chemical_system": "Co-Sc",
"density": 5.682768496639224,
"density_atomic": 0.0658826180979331,
"volume": 30.357020679218348,
"volume_molar": 9.140712579224184,
"formula_full": "Sc1 Co1",
"formula_reduced": "ScCo",
"formula_anonymous": "AB",
"energy": -14.18205023,
"energy_per_atom": -7.091025115,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.18205023,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0333728,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:34.581000Z",
"spacegroup": 221
}
]
}