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=4",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=volume&page=2",
"results": [
{
"id": "mp-614456",
"created_at": "2022-09-04T14:40:43.831991Z",
"structure_string": "He1\n1.0\n0.000000 1.849047 1.849047\n1.849047 0.000000 1.849047\n1.849047 1.849047 0.000000\nHe\n1\ndirect\n0.000000 0.000000 0.000000 He\n",
"nsites": 1,
"nelements": 1,
"elements": [
"He"
],
"chemical_system": "He",
"density": 0.5256754057633166,
"density_atomic": 0.0790908336294941,
"volume": 12.643690224388857,
"volume_molar": 7.614208225710568,
"formula_full": "He1",
"formula_reduced": "He",
"formula_anonymous": "A",
"energy": -0.00075975,
"energy_per_atom": -0.00075975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.00075975,
"band_gap": 17.8914,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:11.661000Z",
"spacegroup": 225
},
{
"id": "mp-1206874",
"created_at": "2022-09-04T14:42:09.702822Z",
"structure_string": "Co1 H1\n1.0\n0.000000 1.851780 1.851780\n1.851780 0.000000 1.851780\n1.851780 1.851780 0.000000\nCo H\n1 1\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 H\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Co",
"H"
],
"chemical_system": "Co-H",
"density": 7.837470087040278,
"density_atomic": 0.1574823302320076,
"volume": 12.699837480519504,
"volume_molar": 3.82401044684061,
"formula_full": "Co1 H1",
"formula_reduced": "CoH",
"formula_anonymous": "AB",
"energy": -10.63246864,
"energy_per_atom": -5.31623432,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.45346864,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.1757357,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:37.379000Z",
"spacegroup": 225
},
{
"id": "mp-24719",
"created_at": "2022-09-04T14:41:26.486326Z",
"structure_string": "Ni1 H1\n1.0\n0.000000 1.856107 1.856107\n1.856107 0.000000 1.856107\n1.856107 1.856107 0.000000\nNi H\n1 1\ndirect\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 H\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ni",
"H"
],
"chemical_system": "H-Ni",
"density": 7.751649992963972,
"density_atomic": 0.15638351633653177,
"volume": 12.789071680010514,
"volume_molar": 3.8508794923376497,
"formula_full": "Ni1 H1",
"formula_reduced": "NiH",
"formula_anonymous": "AB",
"energy": -9.42241394,
"energy_per_atom": -4.71120697,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.24341394,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016744,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:18.202000Z",
"spacegroup": 225
},
{
"id": "mp-1096950",
"created_at": "2022-09-04T14:45:54.814333Z",
"structure_string": "Fe1\n1.0\n1.244977 -2.156364 0.000000\n1.244977 2.156364 0.000000\n0.000000 0.000000 2.393789\nFe\n1\ndirect\n0.000000 0.000000 0.000000 Fe\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Fe"
],
"chemical_system": "Fe",
"density": 7.214963345850613,
"density_atomic": 0.07780378702116247,
"volume": 12.852844807258572,
"volume_molar": 7.740164059574619,
"formula_full": "Fe1",
"formula_reduced": "Fe",
"formula_anonymous": "A",
"energy": -7.99332179,
"energy_per_atom": -7.99332179,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.99332179,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.4667001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:11.394000Z",
"spacegroup": 191
},
{
"id": "mp-1009077",
"created_at": "2022-09-04T14:41:30.623270Z",
"structure_string": "Fe1 H1\n1.0\n0.000000 1.880473 1.880473\n1.880473 0.000000 1.880473\n1.880473 1.880473 0.000000\nFe H\n1 1\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 H\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Fe",
"H"
],
"chemical_system": "Fe-H",
"density": 7.098567613253713,
"density_atomic": 0.1503829823969142,
"volume": 13.29937715107477,
"volume_molar": 4.004536061205003,
"formula_full": "Fe1 H1",
"formula_reduced": "FeH",
"formula_anonymous": "AB",
"energy": -11.99969785,
"energy_per_atom": -5.999848925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.82069785,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.1033508,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:20.512000Z",
"spacegroup": 225
},
{
"id": "mp-146",
"created_at": "2022-09-04T14:46:42.215982Z",
"structure_string": "V1\n1.0\n-1.496272 1.496272 1.496272\n1.496272 -1.496272 1.496272\n1.496272 1.496272 -1.496272\nV\n1\ndirect\n0.000000 0.000000 0.000000 V\n",
"nsites": 1,
"nelements": 1,
"elements": [
"V"
],
"chemical_system": "V",
"density": 6.312904042916114,
"density_atomic": 0.07462912706526477,
"volume": 13.399593956465264,
"volume_molar": 8.069424093267912,
"formula_full": "V1",
"formula_reduced": "V",
"formula_anonymous": "A",
"energy": -9.08390607,
"energy_per_atom": -9.08390607,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.08390607,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0135813,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:46.718000Z",
"spacegroup": 229
},
{
"id": "mp-568345",
"created_at": "2022-09-04T14:46:35.558540Z",
"structure_string": "Fe1\n1.0\n2.375663 0.000000 0.000000\n0.000000 2.375663 0.000000\n0.000000 0.000000 2.375663\nFe\n1\ndirect\n0.500000 0.500000 0.500000 Fe\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Fe"
],
"chemical_system": "Fe",
"density": 6.916380718764021,
"density_atomic": 0.0745839703689511,
"volume": 13.407706710345558,
"volume_molar": 8.07430970784975,
"formula_full": "Fe1",
"formula_reduced": "Fe",
"formula_anonymous": "A",
"energy": -7.70860905,
"energy_per_atom": -7.70860905,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.70860905,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.4121917,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:34.812000Z",
"spacegroup": 221
},
{
"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-24287",
"created_at": "2022-09-04T14:42:46.017142Z",
"structure_string": "Cr1 H1\n1.0\n0.000000 1.889517 1.889517\n1.889517 0.000000 1.889517\n1.889517 1.889517 0.000000\nCr H\n1 1\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 H\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cr",
"H"
],
"chemical_system": "Cr-H",
"density": 6.523424854788317,
"density_atomic": 0.14823391849524625,
"volume": 13.4921886994719,
"volume_molar": 4.062592975435056,
"formula_full": "Cr1 H1",
"formula_reduced": "CrH",
"formula_anonymous": "AB",
"energy": -13.16174567,
"energy_per_atom": -6.580872835,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.98274567,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.012102,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:53.937000Z",
"spacegroup": 225
},
{
"id": "mp-8632",
"created_at": "2022-09-04T14:42:47.362829Z",
"structure_string": "V1\n1.0\n0.000000 1.909544 1.909544\n1.909544 0.000000 1.909544\n1.909544 1.909544 0.000000\nV\n1\ndirect\n0.000000 0.000000 0.000000 V\n",
"nsites": 1,
"nelements": 1,
"elements": [
"V"
],
"chemical_system": "V",
"density": 6.0743780976875925,
"density_atomic": 0.07180934983535475,
"volume": 13.92576318115692,
"volume_molar": 8.386290606735237,
"formula_full": "V1",
"formula_reduced": "V",
"formula_anonymous": "A",
"energy": -8.83676567,
"energy_per_atom": -8.83676567,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.83676567,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020693,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:12.043000Z",
"spacegroup": 225
},
{
"id": "mp-1778",
"created_at": "2022-09-04T14:47:26.105300Z",
"structure_string": "Be1 O1\n1.0\n0.000000 1.912045 1.912045\n1.912045 0.000000 1.912045\n1.912045 1.912045 0.000000\nBe O\n1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.750000 0.750000 0.750000 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Be",
"O"
],
"chemical_system": "Be-O",
"density": 2.9707488403850077,
"density_atomic": 0.14305586656284106,
"volume": 13.980552130110983,
"volume_molar": 4.20964264150231,
"formula_full": "Be1 O1",
"formula_reduced": "BeO",
"formula_anonymous": "AB",
"energy": -14.87992922,
"energy_per_atom": -7.43996461,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.19292922,
"band_gap": 6.847700000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:10.209000Z",
"spacegroup": 216
},
{
"id": "mp-8639",
"created_at": "2022-09-04T14:48:00.577842Z",
"structure_string": "Ru1\n1.0\n0.000000 1.912736 1.912736\n1.912736 0.000000 1.912736\n1.912736 1.912736 0.000000\nRu\n1\ndirect\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ru"
],
"chemical_system": "Ru",
"density": 11.991576208997964,
"density_atomic": 0.07145044017988411,
"volume": 13.995715036637888,
"volume_molar": 8.428416598748191,
"formula_full": "Ru1",
"formula_reduced": "Ru",
"formula_anonymous": "A",
"energy": -9.16714577,
"energy_per_atom": -9.16714577,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.16714577,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000704,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:29.720000Z",
"spacegroup": 225
}
]
}