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=volume&page=20",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=volume&page=18",
"results": [
{
"id": "mp-13117",
"created_at": "2022-09-04T14:45:08.890140Z",
"structure_string": "Cu1 N1\n1.0\n0.000000 2.215567 2.215567\n2.215567 0.000000 2.215567\n2.215567 2.215567 0.000000\nCu N\n1 1\ndirect\n0.000000 0.000000 0.000000 Cu\n0.250000 0.250000 0.250000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cu",
"N"
],
"chemical_system": "Cu-N",
"density": 5.920540558176164,
"density_atomic": 0.0919486455763557,
"volume": 21.751272000403382,
"volume_molar": 6.549461084773798,
"formula_full": "Cu1 N1",
"formula_reduced": "CuN",
"formula_anonymous": "AB",
"energy": -10.84374444,
"energy_per_atom": -5.42187222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.48274444,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001634,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:50.786000Z",
"spacegroup": 216
},
{
"id": "mp-12981",
"created_at": "2022-09-04T14:44:25.090496Z",
"structure_string": "Sc1 N1\n1.0\n2.791458 0.000000 0.000000\n0.000000 2.791458 0.000000\n0.000000 0.000000 2.791458\nSc N\n1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sc",
"N"
],
"chemical_system": "N-Sc",
"density": 4.501243611676179,
"density_atomic": 0.09194681753220964,
"volume": 21.751704449144043,
"volume_molar": 6.549591298133184,
"formula_full": "Sc1 N1",
"formula_reduced": "ScN",
"formula_anonymous": "AB",
"energy": -16.790117340000002,
"energy_per_atom": -8.395058670000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.42911734,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.8e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:26.262000Z",
"spacegroup": 221
},
{
"id": "mp-1008669",
"created_at": "2022-09-04T14:42:04.436755Z",
"structure_string": "U1\n1.0\n0.000000 2.216057 2.216057\n2.216057 0.000000 2.216057\n2.216057 2.216057 0.000000\nU\n1\ndirect\n0.000000 0.000000 0.000000 U\n",
"nsites": 1,
"nelements": 1,
"elements": [
"U"
],
"chemical_system": "U",
"density": 18.159589588452988,
"density_atomic": 0.04594383290806428,
"volume": 21.76570687955108,
"volume_molar": 13.107615056955694,
"formula_full": "U1",
"formula_reduced": "U",
"formula_anonymous": "A",
"energy": -10.91983266,
"energy_per_atom": -10.91983266,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.91983266,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0970341,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.974000Z",
"spacegroup": 225
},
{
"id": "mp-1271128",
"created_at": "2022-09-04T14:46:29.187304Z",
"structure_string": "Fe2\n1.0\n2.188900 0.338815 -0.981869\n-0.800792 2.065459 -0.981202\n1.069631 1.855593 3.028954\nFe\n2\ndirect\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Fe"
],
"chemical_system": "Fe",
"density": 8.517772775708455,
"density_atomic": 0.09185285457021893,
"volume": 21.77395584881966,
"volume_molar": 6.556291351180864,
"formula_full": "Fe2",
"formula_reduced": "Fe",
"formula_anonymous": "A",
"energy": -16.74177322,
"energy_per_atom": -8.37088661,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.74177322,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0002904,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:33.181000Z",
"spacegroup": 139
},
{
"id": "mp-569376",
"created_at": "2022-09-04T14:47:12.757352Z",
"structure_string": "Fe1 B2\n1.0\n1.509599 -2.614702 0.000000\n1.509599 2.614702 0.000000\n0.000000 0.000000 2.763627\nFe B\n1 2\ndirect\n0.000000 0.000000 0.000000 Fe\n0.333333 0.666667 0.500000 B\n0.666667 0.333333 0.500000 B\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Fe",
"B"
],
"chemical_system": "B-Fe",
"density": 5.896205533213424,
"density_atomic": 0.13750802154403613,
"volume": 21.816909052387665,
"volume_molar": 4.379483242053224,
"formula_full": "Fe1 B2",
"formula_reduced": "FeB2",
"formula_anonymous": "AB2",
"energy": -21.98317588,
"energy_per_atom": -7.327725293333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.98317588,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.7512275,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:56.230000Z",
"spacegroup": 191
},
{
"id": "mp-1221588",
"created_at": "2022-09-04T14:42:58.885914Z",
"structure_string": "Mn1 Ni1\n1.0\n4.168295 -1.238452 0.000000\n4.168295 1.238452 0.000000\n3.800336 0.000000 2.113266\nMn Ni\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Ni\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mn",
"Ni"
],
"chemical_system": "Mn-Ni",
"density": 8.648202281021975,
"density_atomic": 0.0916659846669474,
"volume": 21.818344146595447,
"volume_molar": 6.569656980045992,
"formula_full": "Mn1 Ni1",
"formula_reduced": "MnNi",
"formula_anonymous": "AB",
"energy": -14.72954738,
"energy_per_atom": -7.36477369,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.72954738,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.4310455,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:12.362000Z",
"spacegroup": 166
},
{
"id": "mp-54",
"created_at": "2022-09-04T14:47:12.830654Z",
"structure_string": "Co2\n1.0\n1.250392 -2.165742 0.000000\n1.250392 2.165742 0.000000\n0.000000 0.000000 4.033331\nCo\n2\ndirect\n0.333333 0.666667 0.250000 Co\n0.666667 0.333333 0.750000 Co\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Co"
],
"chemical_system": "Co",
"density": 8.95967619453142,
"density_atomic": 0.09155524526734982,
"volume": 21.844734227512735,
"volume_molar": 6.577603219143578,
"formula_full": "Co2",
"formula_reduced": "Co",
"formula_anonymous": "A",
"energy": -14.21663559,
"energy_per_atom": -7.108317795,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.21663559,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.2132757,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:01.915000Z",
"spacegroup": 194
},
{
"id": "mp-1001826",
"created_at": "2022-09-04T14:40:59.966546Z",
"structure_string": "V1 N1\n1.0\n0.000000 2.219563 2.219563\n2.219563 0.000000 2.219563\n2.219563 2.219563 0.000000\nV N\n1 1\ndirect\n0.000000 0.000000 0.000000 V\n0.250000 0.250000 0.250000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"V",
"N"
],
"chemical_system": "N-V",
"density": 4.931553984051704,
"density_atomic": 0.09145291868831261,
"volume": 21.869176278740174,
"volume_molar": 6.584962892791316,
"formula_full": "V1 N1",
"formula_reduced": "VN",
"formula_anonymous": "AB",
"energy": -19.45393859,
"energy_per_atom": -9.726969295,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.09293859,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.6246305,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:25.456000Z",
"spacegroup": 216
},
{
"id": "mp-1009533",
"created_at": "2022-09-04T14:43:03.351596Z",
"structure_string": "Pd1 C1\n1.0\n0.000000 2.220000 2.220000\n2.220000 0.000000 2.220000\n2.220000 2.220000 0.000000\nPd C\n1 1\ndirect\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pd",
"C"
],
"chemical_system": "C-Pd",
"density": 8.98720141044919,
"density_atomic": 0.09139892266261877,
"volume": 21.882096000000004,
"volume_molar": 6.588853111791649,
"formula_full": "Pd1 C1",
"formula_reduced": "PdC",
"formula_anonymous": "AB",
"energy": -11.43402039,
"energy_per_atom": -5.717010195,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.43402039,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001308,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:06.173000Z",
"spacegroup": 225
},
{
"id": "mp-1009835",
"created_at": "2022-09-04T14:39:35.021486Z",
"structure_string": "Ta1 C1\n1.0\n2.797247 0.000000 0.000000\n0.000000 2.797247 0.000000\n0.000000 0.000000 2.797247\nTa C\n1 1\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ta",
"C"
],
"chemical_system": "C-Ta",
"density": 14.639314524965723,
"density_atomic": 0.09137713671993476,
"volume": 21.88731308281059,
"volume_molar": 6.590424012143745,
"formula_full": "Ta1 C1",
"formula_reduced": "TaC",
"formula_anonymous": "AB",
"energy": -20.17197332,
"energy_per_atom": -10.08598666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.17197332,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000438,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.658000Z",
"spacegroup": 221
},
{
"id": "mp-1183252",
"created_at": "2022-09-04T14:42:59.287713Z",
"structure_string": "B1 Ir1\n1.0\n1.525180 -2.641689 0.000000\n1.525180 2.641689 0.000000\n0.000000 0.000000 2.719451\nB Ir\n1 1\ndirect\n0.333333 0.666667 0.500000 B\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 2,
"nelements": 2,
"elements": [
"B",
"Ir"
],
"chemical_system": "B-Ir",
"density": 15.38477010210741,
"density_atomic": 0.09126746177586144,
"volume": 21.913614787619338,
"volume_molar": 6.598343640573058,
"formula_full": "B1 Ir1",
"formula_reduced": "BIr",
"formula_anonymous": "AB",
"energy": -15.91883799,
"energy_per_atom": -7.959418995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.91883799,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002282,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:13.177000Z",
"spacegroup": 187
},
{
"id": "mp-1009548",
"created_at": "2022-09-04T14:40:58.383518Z",
"structure_string": "Pd1 N1\n1.0\n0.000000 2.221293 2.221293\n2.221293 0.000000 2.221293\n2.221293 2.221293 0.000000\nPd N\n1 1\ndirect\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pd",
"N"
],
"chemical_system": "N-Pd",
"density": 9.12271995944708,
"density_atomic": 0.09123940742183803,
"volume": 21.920352800552084,
"volume_molar": 6.600372503689243,
"formula_full": "Pd1 N1",
"formula_reduced": "PdN",
"formula_anonymous": "AB",
"energy": -11.61151839,
"energy_per_atom": -5.805759195,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.25051839,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009757,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.303000Z",
"spacegroup": 225
}
]
}