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=148",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=volume&page=146",
"results": [
{
"id": "mp-1006886",
"created_at": "2022-09-04T14:40:58.259648Z",
"structure_string": "Ce1 S1\n1.0\n3.512501 0.000000 0.000000\n0.000000 3.512501 0.000000\n0.000000 0.000000 3.512501\nCe S\n1 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ce",
"S"
],
"chemical_system": "Ce-S",
"density": 6.597584383811093,
"density_atomic": 0.04615094795479019,
"volume": 43.33605459110428,
"volume_molar": 13.04879103653371,
"formula_full": "Ce1 S1",
"formula_reduced": "CeS",
"formula_anonymous": "AB",
"energy": -13.91983816,
"energy_per_atom": -6.95991908,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.41683816,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.6453109,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:20.673000Z",
"spacegroup": 221
},
{
"id": "mp-1062162",
"created_at": "2022-09-04T14:43:09.710631Z",
"structure_string": "Mn1 Ni1 Ge1\n1.0\n0.000000 2.788290 2.788290\n2.788290 0.000000 2.788290\n2.788290 2.788290 0.000000\nMn Ni Ge\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Ni\n0.500000 0.500000 0.500000 Ge\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mn",
"Ni",
"Ge"
],
"chemical_system": "Ge-Mn-Ni",
"density": 7.1343031909251895,
"density_atomic": 0.06919543366689834,
"volume": 43.35546207343358,
"volume_molar": 8.703089844035281,
"formula_full": "Mn1 Ni1 Ge1",
"formula_reduced": "MnNiGe",
"formula_anonymous": "ABC",
"energy": -20.01855177,
"energy_per_atom": -6.6728505899999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.01855177,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0016477,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:54.275000Z",
"spacegroup": 216
},
{
"id": "mp-634805",
"created_at": "2022-09-04T14:47:27.939451Z",
"structure_string": "Sc1 F3\n1.0\n3.525711 1.844063 0.000000\n-3.525711 1.844063 0.000000\n0.000000 0.311376 3.335500\nSc F\n1 3\ndirect\n0.994958 0.005042 0.000000 Sc\n0.519147 0.007403 0.817090 F\n0.992597 0.480853 0.182910 F\n0.493298 0.506702 0.500000 F\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sc",
"F"
],
"chemical_system": "F-Sc",
"density": 3.9032619688258077,
"density_atomic": 0.09222455874402824,
"volume": 43.3723951025031,
"volume_molar": 6.529866710140206,
"formula_full": "Sc1 F3",
"formula_reduced": "ScF3",
"formula_anonymous": "AB3",
"energy": -25.76170614,
"energy_per_atom": -6.440426535,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.37570614,
"band_gap": 1.763,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.6e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:12.651000Z",
"spacegroup": 5
},
{
"id": "mp-1039124",
"created_at": "2022-09-04T14:40:28.250377Z",
"structure_string": "Mg1 Cd1\n1.0\n3.243787 0.000000 0.000000\n0.000000 3.243787 0.000000\n0.000000 0.000000 4.122161\nMg Cd\n1 1\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg",
"density": 5.234061639678145,
"density_atomic": 0.04611055904437069,
"volume": 43.37401327265334,
"volume_molar": 13.060220662701335,
"formula_full": "Mg1 Cd1",
"formula_reduced": "MgCd",
"formula_anonymous": "AB",
"energy": -2.69873064,
"energy_per_atom": -1.34936532,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.69873064,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002765,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.636000Z",
"spacegroup": 123
},
{
"id": "mp-1216707",
"created_at": "2022-09-04T14:44:22.663948Z",
"structure_string": "Ti1 Nb1 C2\n1.0\n5.180226 -1.566974 0.000000\n5.180226 1.566974 0.000000\n4.706230 0.000000 2.672368\nTi Nb C\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Nb\n0.752401 0.752401 0.752401 C\n0.247599 0.247599 0.247599 C\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Nb",
"C"
],
"chemical_system": "C-Nb-Ti",
"density": 6.307478694966274,
"density_atomic": 0.09219836830975991,
"volume": 43.38471573120637,
"volume_molar": 6.531721624147778,
"formula_full": "Ti1 Nb1 C2",
"formula_reduced": "TiNbC2",
"formula_anonymous": "ABC2",
"energy": -39.11393652,
"energy_per_atom": -9.77848413,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.11393652,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002775,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:27.779000Z",
"spacegroup": 166
},
{
"id": "mp-1008349",
"created_at": "2022-09-04T14:45:29.847691Z",
"structure_string": "Co3 Ni1\n1.0\n3.514071 0.000000 0.000000\n0.000000 3.514071 0.000000\n0.000000 0.000000 3.514071\nCo Ni\n3 1\ndirect\n0.500000 0.500000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Co",
"Ni"
],
"chemical_system": "Co-Ni",
"density": 9.011466577108399,
"density_atomic": 0.09217823656213987,
"volume": 43.394190962890576,
"volume_molar": 6.533148153621175,
"formula_full": "Co3 Ni1",
"formula_reduced": "Co3Ni",
"formula_anonymous": "AB3",
"energy": -27.10476064,
"energy_per_atom": -6.77619016,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.10476064,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.5190463,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:13.879000Z",
"spacegroup": 221
},
{
"id": "mp-999135",
"created_at": "2022-09-04T14:40:07.826963Z",
"structure_string": "Ta1 Cu1 N2\n1.0\n5.116252 -1.577452 0.000000\n5.116252 1.577452 0.000000\n4.629889 0.000000 2.688590\nTa Cu N\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Cu\n0.761755 0.761755 0.761755 N\n0.238245 0.238245 0.238245 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Cu",
"N"
],
"chemical_system": "Cu-N-Ta",
"density": 10.42712431254258,
"density_atomic": 0.09217164452098275,
"volume": 43.3972944801848,
"volume_molar": 6.533615399071097,
"formula_full": "Ta1 Cu1 N2",
"formula_reduced": "TaCuN2",
"formula_anonymous": "ABC2",
"energy": -34.46883194,
"energy_per_atom": -8.617207985,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.74683194,
"band_gap": 0.3733000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002254,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:48.473000Z",
"spacegroup": 166
},
{
"id": "mp-631256",
"created_at": "2022-09-04T14:43:40.273807Z",
"structure_string": "Fe1 Ni1 Mo1\n1.0\n0.000000 2.789401 2.789401\n2.789401 0.000000 2.789401\n2.789401 2.789401 0.000000\nFe Ni Mo\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Fe\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Fe",
"Ni",
"Mo"
],
"chemical_system": "Fe-Mo-Ni",
"density": 8.05181482975252,
"density_atomic": 0.06911278634052034,
"volume": 43.40730795049889,
"volume_molar": 8.713497283019048,
"formula_full": "Fe1 Ni1 Mo1",
"formula_reduced": "FeNiMo",
"formula_anonymous": "ABC",
"energy": -23.41777193,
"energy_per_atom": -7.805923976666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.41777193,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5480872,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:17.619000Z",
"spacegroup": 216
},
{
"id": "mp-1096866",
"created_at": "2022-09-04T14:41:52.129655Z",
"structure_string": "Cd1 O2\n1.0\n1.738115 -3.010503 0.000000\n1.738115 3.010503 0.000000\n0.000000 0.000000 4.148076\nCd O\n1 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.666667 0.333333 0.755781 O\n0.333333 0.666667 0.244219 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Cd",
"O"
],
"chemical_system": "Cd-O",
"density": 5.52397229319291,
"density_atomic": 0.0691077864150018,
"volume": 43.41044845489024,
"volume_molar": 8.714127701669119,
"formula_full": "Cd1 O2",
"formula_reduced": "CdO2",
"formula_anonymous": "AB2",
"energy": -12.25104815,
"energy_per_atom": -4.083682716666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.87704815,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9999998,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:34.715000Z",
"spacegroup": 164
},
{
"id": "mp-1183751",
"created_at": "2022-09-04T14:41:46.819720Z",
"structure_string": "Co1 Ni3\n1.0\n3.514617 0.000000 0.000000\n0.000000 3.514617 0.000000\n0.000000 0.000000 3.514617\nCo Ni\n1 3\ndirect\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Co",
"Ni"
],
"chemical_system": "Co-Ni",
"density": 8.988923776283448,
"density_atomic": 0.0921352832342118,
"volume": 43.414421268254316,
"volume_molar": 6.5361938972841305,
"formula_full": "Co1 Ni3",
"formula_reduced": "CoNi3",
"formula_anonymous": "AB3",
"energy": -24.40529951,
"energy_per_atom": -6.1013248775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.40529951,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.6384239,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:25.586000Z",
"spacegroup": 221
},
{
"id": "mp-7425",
"created_at": "2022-09-04T14:41:04.574285Z",
"structure_string": "Tb1 Pt1\n1.0\n3.514847 0.000000 0.000000\n0.000000 3.514847 0.000000\n0.000000 0.000000 3.514847\nTb Pt\n1 1\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 Pt\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tb",
"Pt"
],
"chemical_system": "Pt-Tb",
"density": 13.537689685043564,
"density_atomic": 0.04605859866509515,
"volume": 43.42294507356932,
"volume_molar": 13.074954372339151,
"formula_full": "Tb1 Pt1",
"formula_reduced": "TbPt",
"formula_anonymous": "AB",
"energy": -13.0823207,
"energy_per_atom": -6.54116035,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.0823207,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.82e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.409000Z",
"spacegroup": 221
},
{
"id": "mp-1001835",
"created_at": "2022-09-04T14:45:53.098574Z",
"structure_string": "Li2 B2\n1.0\n2.006491 -3.475345 0.000000\n2.006491 3.475345 0.000000\n0.000000 0.000000 3.115348\nLi B\n2 2\ndirect\n0.333333 0.666667 0.250000 Li\n0.666667 0.333333 0.750000 Li\n0.000000 0.000000 0.500000 B\n0.000000 0.000000 0.000000 B\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"B"
],
"chemical_system": "B-Li",
"density": 1.356921363983624,
"density_atomic": 0.09206367121433641,
"volume": 43.448191314112066,
"volume_molar": 6.541278096524807,
"formula_full": "Li2 B2",
"formula_reduced": "LiB",
"formula_anonymous": "AB",
"energy": -17.86599732,
"energy_per_atom": -4.46649933,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.86599732,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001514,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:11.222000Z",
"spacegroup": 194
}
]
}