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=59",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nsites&page=57",
"results": [
{
"id": "mp-503",
"created_at": "2022-09-04T14:40:32.032653Z",
"structure_string": "Th1 S1\n1.0\n0.000000 2.859724 2.859724\n2.859724 0.000000 2.859724\n2.859724 2.859724 0.000000\nTh S\n1 1\ndirect\n0.500000 0.500000 0.500000 Th\n0.000000 0.000000 0.000000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Th",
"S"
],
"chemical_system": "S-Th",
"density": 9.37605560822683,
"density_atomic": 0.04275900980915716,
"volume": 46.77376788953811,
"volume_molar": 14.083910705318331,
"formula_full": "Th1 S1",
"formula_reduced": "ThS",
"formula_anonymous": "AB",
"energy": -15.74170821,
"energy_per_atom": -7.870854105,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.23870821,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002085,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:06.998000Z",
"spacegroup": 225
},
{
"id": "mp-10871",
"created_at": "2022-09-04T14:41:08.646556Z",
"structure_string": "Al1 Au1\n1.0\n3.223942 0.000000 0.000000\n0.000000 3.223942 0.000000\n0.000000 0.000000 3.223942\nAl Au\n1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Au\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Al",
"Au"
],
"chemical_system": "Al-Au",
"density": 11.097747367525407,
"density_atomic": 0.05968543115231329,
"volume": 33.50901486991242,
"volume_molar": 10.089800213777286,
"formula_full": "Al1 Au1",
"formula_reduced": "AlAu",
"formula_anonymous": "AB",
"energy": -7.50612548,
"energy_per_atom": -3.75306274,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.50612548,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.44e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:09.620000Z",
"spacegroup": 221
},
{
"id": "mp-22320",
"created_at": "2022-09-04T14:40:55.774993Z",
"structure_string": "Ga1 Ru1\n1.0\n3.030010 0.000000 0.000000\n0.000000 3.030010 0.000000\n0.000000 0.000000 3.030010\nGa Ru\n1 1\ndirect\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ru\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ga",
"Ru"
],
"chemical_system": "Ga-Ru",
"density": 10.19499410639346,
"density_atomic": 0.07189485468056522,
"volume": 27.818402427908996,
"volume_molar": 8.376316756959685,
"formula_full": "Ga1 Ru1",
"formula_reduced": "GaRu",
"formula_anonymous": "AB",
"energy": -12.90433409,
"energy_per_atom": -6.452167045,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.90433409,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0438684,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:58.347000Z",
"spacegroup": 221
},
{
"id": "mp-1748",
"created_at": "2022-09-04T14:40:32.138498Z",
"structure_string": "Nd1 S1\n1.0\n0.000000 2.876973 2.876973\n2.876973 0.000000 2.876973\n2.876973 2.876973 0.000000\nNd S\n1 1\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Nd",
"S"
],
"chemical_system": "Nd-S",
"density": 6.147255994060428,
"density_atomic": 0.04199452193818602,
"volume": 47.625259383685965,
"volume_molar": 14.340300787003386,
"formula_full": "Nd1 S1",
"formula_reduced": "NdS",
"formula_anonymous": "AB",
"energy": -13.4559501,
"energy_per_atom": -6.72797505,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.9529501,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011491,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:04.726000Z",
"spacegroup": 225
},
{
"id": "mp-1625",
"created_at": "2022-09-04T14:45:37.849064Z",
"structure_string": "Sn1 Sb1\n1.0\n3.803308 0.000000 0.000000\n0.000000 3.803308 0.000000\n0.000000 0.000000 3.803308\nSn Sb\n1 1\ndirect\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sn",
"Sb"
],
"chemical_system": "Sb-Sn",
"density": 7.2581428267809605,
"density_atomic": 0.03635343932645597,
"volume": 55.0154273448486,
"volume_molar": 16.565532372111566,
"formula_full": "Sn1 Sb1",
"formula_reduced": "SnSb",
"formula_anonymous": "AB",
"energy": -8.03205756,
"energy_per_atom": -4.01602878,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.84005756,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004895,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:14.977000Z",
"spacegroup": 221
},
{
"id": "mp-1225677",
"created_at": "2022-09-04T14:45:38.503929Z",
"structure_string": "Cu1 Au1\n1.0\n4.336949 -1.443057 0.000000\n4.336949 1.443057 0.000000\n3.856793 0.000000 2.452894\nCu Au\n1 1\ndirect\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Au\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cu",
"Au"
],
"chemical_system": "Au-Cu",
"density": 14.089682332451204,
"density_atomic": 0.06514084953730477,
"volume": 30.702700597336282,
"volume_molar": 9.24479923546476,
"formula_full": "Cu1 Au1",
"formula_reduced": "CuAu",
"formula_anonymous": "AB",
"energy": -7.32501877,
"energy_per_atom": -3.662509385,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.32501877,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001971,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:03.076000Z",
"spacegroup": 166
},
{
"id": "mp-982779",
"created_at": "2022-09-04T14:41:11.421268Z",
"structure_string": "Nb1 Te1\n1.0\n1.851487 -3.206870 0.000000\n1.851487 3.206870 0.000000\n0.000000 0.000000 3.694211\nNb Te\n1 1\ndirect\n0.000000 0.000000 0.500000 Nb\n0.666667 0.333333 0.000000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Nb",
"Te"
],
"chemical_system": "Nb-Te",
"density": 8.346733405027786,
"density_atomic": 0.04559070215441568,
"volume": 43.86859393448255,
"volume_molar": 13.209142380836807,
"formula_full": "Nb1 Te1",
"formula_reduced": "NbTe",
"formula_anonymous": "AB",
"energy": -13.93749003,
"energy_per_atom": -6.968745015,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.51549003,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0023725,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:17.568000Z",
"spacegroup": 187
},
{
"id": "mp-1525",
"created_at": "2022-09-04T14:41:15.089353Z",
"structure_string": "Ce1 Te1\n1.0\n0.000000 3.170003 3.170003\n3.170003 0.000000 3.170003\n3.170003 3.170003 0.000000\nCe Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ce",
"Te"
],
"chemical_system": "Ce-Te",
"density": 6.977734000905439,
"density_atomic": 0.031392144178018534,
"volume": 63.71020688037117,
"volume_molar": 19.183591684115786,
"formula_full": "Ce1 Te1",
"formula_reduced": "CeTe",
"formula_anonymous": "AB",
"energy": -12.22398709,
"energy_per_atom": -6.111993545,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.80198709,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.2234603,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:09.903000Z",
"spacegroup": 225
},
{
"id": "mp-2495",
"created_at": "2022-09-04T14:45:23.796240Z",
"structure_string": "Pr1 S1\n1.0\n0.000000 2.903828 2.903828\n2.903828 0.000000 2.903828\n2.903828 2.903828 0.000000\nPr S\n1 1\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pr",
"S"
],
"chemical_system": "Pr-S",
"density": 5.865214168735771,
"density_atomic": 0.04084015053695418,
"volume": 48.97141596454943,
"volume_molar": 14.745638007751394,
"formula_full": "Pr1 S1",
"formula_reduced": "PrS",
"formula_anonymous": "AB",
"energy": -13.45165296,
"energy_per_atom": -6.72582648,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.94865296,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015163,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:06.473000Z",
"spacegroup": 225
},
{
"id": "mp-1009732",
"created_at": "2022-09-04T14:41:11.165060Z",
"structure_string": "Rh1 N1\n1.0\n1.465961 -2.539119 0.000000\n1.465961 2.539119 0.000000\n0.000000 0.000000 2.856155\nRh N\n1 1\ndirect\n0.000000 0.000000 0.000000 Rh\n0.333333 0.666667 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Rh",
"N"
],
"chemical_system": "N-Rh",
"density": 9.13043965518094,
"density_atomic": 0.09406168530433445,
"volume": 21.2626426321094,
"volume_molar": 6.402331343006986,
"formula_full": "Rh1 N1",
"formula_reduced": "RhN",
"formula_anonymous": "AB",
"energy": -13.87941596,
"energy_per_atom": -6.93970798,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.51841596,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.010919,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.436000Z",
"spacegroup": 187
},
{
"id": "mp-1009731",
"created_at": "2022-09-04T14:41:11.587837Z",
"structure_string": "Re1 C1\n1.0\n2.700655 0.000000 0.000000\n0.000000 2.700655 0.000000\n0.000000 0.000000 2.700655\nRe C\n1 1\ndirect\n0.000000 0.000000 0.000000 Re\n0.500000 0.500000 0.500000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Re",
"C"
],
"chemical_system": "C-Re",
"density": 16.710298427499566,
"density_atomic": 0.10153661283203796,
"volume": 19.69732832538351,
"volume_molar": 5.931004188569729,
"formula_full": "Re1 C1",
"formula_reduced": "ReC",
"formula_anonymous": "AB",
"energy": -19.48687855,
"energy_per_atom": -9.743439275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.48687855,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013152,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.607000Z",
"spacegroup": 221
},
{
"id": "mp-1002188",
"created_at": "2022-09-04T14:42:11.966964Z",
"structure_string": "Tc1 B1\n1.0\n1.440194 -2.494490 0.000000\n1.440194 2.494490 0.000000\n0.000000 0.000000 2.945552\nTc B\n1 1\ndirect\n0.000000 0.000000 0.000000 Tc\n0.333333 0.666667 0.500000 B\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tc",
"B"
],
"chemical_system": "B-Tc",
"density": 8.537337390037479,
"density_atomic": 0.09449972428556665,
"volume": 21.16408291262569,
"volume_molar": 6.372654317807134,
"formula_full": "Tc1 B1",
"formula_reduced": "TcB",
"formula_anonymous": "AB",
"energy": -17.60483351,
"energy_per_atom": -8.802416755,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.60483351,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020834,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:38.488000Z",
"spacegroup": 187
}
]
}