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=124",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=volume&page=122",
"results": [
{
"id": "mp-2423",
"created_at": "2022-09-04T14:42:03.550821Z",
"structure_string": "U1 S1\n1.0\n0.000000 2.729625 2.729625\n2.729625 0.000000 2.729625\n2.729625 2.729625 0.000000\nU S\n1 1\ndirect\n0.500000 0.500000 0.500000 U\n0.000000 0.000000 0.000000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"U",
"S"
],
"chemical_system": "S-U",
"density": 11.02617630502001,
"density_atomic": 0.04916896184468137,
"volume": 40.67606727833203,
"volume_molar": 12.247850135667278,
"formula_full": "U1 S1",
"formula_reduced": "US",
"formula_anonymous": "AB",
"energy": -18.67540324,
"energy_per_atom": -9.33770162,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.17240324,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.1220818,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:34.522000Z",
"spacegroup": 225
},
{
"id": "mp-865147",
"created_at": "2022-09-04T14:43:54.403380Z",
"structure_string": "Be2 Cu1 Ru1\n1.0\n0.000000 2.729949 2.729949\n2.729949 0.000000 2.729949\n2.729949 2.729949 0.000000\nBe Cu Ru\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Be\n0.250000 0.250000 0.250000 Be\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Cu",
"Ru"
],
"chemical_system": "Be-Cu-Ru",
"density": 7.453362852238523,
"density_atomic": 0.09830291456722422,
"volume": 40.69055345520411,
"volume_molar": 6.126106012738588,
"formula_full": "Be2 Cu1 Ru1",
"formula_reduced": "Be2CuRu",
"formula_anonymous": "ABC2",
"energy": -21.84533658,
"energy_per_atom": -5.461334145,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.84533658,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001186,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:08.112000Z",
"spacegroup": 225
},
{
"id": "mp-1065394",
"created_at": "2022-09-04T14:42:05.254958Z",
"structure_string": "Mo2 N2\n1.0\n1.435254 -2.485933 0.000000\n1.435254 2.485933 0.000000\n0.000000 0.000000 5.706674\nMo N\n2 2\ndirect\n0.000000 0.000000 0.500000 Mo\n0.000000 0.000000 0.000000 Mo\n0.333333 0.666667 0.750000 N\n0.666667 0.333333 0.250000 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mo",
"N"
],
"chemical_system": "Mo-N",
"density": 8.966646470274918,
"density_atomic": 0.09822651740855053,
"volume": 40.722201148218694,
"volume_molar": 6.130870684290166,
"formula_full": "Mo2 N2",
"formula_reduced": "MoN",
"formula_anonymous": "AB",
"energy": -40.49736364,
"energy_per_atom": -10.12434091,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.77536364,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.16e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:29.863000Z",
"spacegroup": 194
},
{
"id": "mp-2205",
"created_at": "2022-09-04T14:44:27.776550Z",
"structure_string": "Lu1 Pd1\n1.0\n3.440572 0.000000 0.000000\n0.000000 3.440572 0.000000\n0.000000 0.000000 3.440572\nLu Pd\n1 1\ndirect\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.500000 Pd\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Lu",
"Pd"
],
"chemical_system": "Lu-Pd",
"density": 11.47258211372487,
"density_atomic": 0.049106393965169214,
"volume": 40.727893834326025,
"volume_molar": 12.263455476432373,
"formula_full": "Lu1 Pd1",
"formula_reduced": "LuPd",
"formula_anonymous": "AB",
"energy": -11.64944762,
"energy_per_atom": -5.82472381,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.64944762,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0023953,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:34.510000Z",
"spacegroup": 221
},
{
"id": "mp-1062306",
"created_at": "2022-09-04T14:39:25.707863Z",
"structure_string": "Mn1 Si1 Ni1\n1.0\n0.000000 2.730943 2.730943\n2.730943 0.000000 2.730943\n2.730943 2.730943 0.000000\nMn Si Ni\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Si\n0.250000 0.250000 0.250000 Ni\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mn",
"Si",
"Ni"
],
"chemical_system": "Mn-Ni-Si",
"density": 5.777008099295662,
"density_atomic": 0.07364671025961193,
"volume": 40.73501707577574,
"volume_molar": 8.177066889710837,
"formula_full": "Mn1 Si1 Ni1",
"formula_reduced": "MnSiNi",
"formula_anonymous": "ABC",
"energy": -21.04818553,
"energy_per_atom": -7.0160618433333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.11918553,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0004915,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.142000Z",
"spacegroup": 216
},
{
"id": "mp-1008920",
"created_at": "2022-09-04T14:41:32.863170Z",
"structure_string": "Mn2 Ge1\n1.0\n0.000000 2.730959 2.730959\n2.730959 0.000000 2.730959\n2.730959 2.730959 0.000000\nMn Ge\n2 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Mn\n0.750000 0.750000 0.750000 Ge\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mn",
"Ge"
],
"chemical_system": "Ge-Mn",
"density": 7.440030533774951,
"density_atomic": 0.07364541583469321,
"volume": 40.73573305273872,
"volume_molar": 8.17721061351257,
"formula_full": "Mn2 Ge1",
"formula_reduced": "Mn2Ge",
"formula_anonymous": "AB2",
"energy": -22.54838707,
"energy_per_atom": -7.516129023333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.54838707,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001391,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.565000Z",
"spacegroup": 216
},
{
"id": "mp-625074",
"created_at": "2022-09-04T14:43:13.326102Z",
"structure_string": "Ni1 H2 O2\n1.0\n1.582425 2.738152 0.000000\n-1.582425 2.738152 0.000000\n0.000000 0.537188 4.701561\nNi H O\n1 2 2\ndirect\n0.048460 0.951540 0.000000 Ni\n0.780208 0.609140 0.579327 H\n0.390860 0.219792 0.420673 H\n0.738393 0.640969 0.783423 O\n0.359031 0.261607 0.216577 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ni",
"H",
"O"
],
"chemical_system": "H-Ni-O",
"density": 3.7784521346894744,
"density_atomic": 0.12272053642943483,
"volume": 40.74297705563759,
"volume_molar": 4.907198856209998,
"formula_full": "Ni1 H2 O2",
"formula_reduced": "Ni(HO)2",
"formula_anonymous": "AB2C2",
"energy": -28.64708536,
"energy_per_atom": -5.7294170719999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.73208536,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.000401,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:12.347000Z",
"spacegroup": 5
},
{
"id": "mp-1220407",
"created_at": "2022-09-04T14:41:36.618916Z",
"structure_string": "Nb1 V1 C1 N1\n1.0\n5.072677 -1.535277 0.000000\n5.072677 1.535277 0.000000\n4.608016 0.000000 2.618265\nNb V C N\n1 1 1 1\ndirect\n0.745680 0.745680 0.745680 Nb\n0.258457 0.258457 0.258457 V\n0.992759 0.992759 0.992759 C\n0.503104 0.503104 0.503104 N\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Nb",
"V",
"C",
"N"
],
"chemical_system": "C-N-Nb-V",
"density": 6.916496592681831,
"density_atomic": 0.09808270662865172,
"volume": 40.7819088347989,
"volume_molar": 6.139859886616164,
"formula_full": "Nb1 V1 C1 N1",
"formula_reduced": "NbVCN",
"formula_anonymous": "ABCD",
"energy": -39.8014876,
"energy_per_atom": -9.9503719,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.4404876,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022577,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:28.351000Z",
"spacegroup": 160
},
{
"id": "mp-1623",
"created_at": "2022-09-04T14:43:09.701629Z",
"structure_string": "Er1 S1\n1.0\n0.000000 2.732160 2.732160\n2.732160 0.000000 2.732160\n2.732160 2.732160 0.000000\nEr S\n1 1\ndirect\n0.000000 0.000000 0.000000 Er\n0.500000 0.500000 0.500000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Er",
"S"
],
"chemical_system": "Er-S",
"density": 8.11447281026874,
"density_atomic": 0.049032226398746104,
"volume": 40.789500026683385,
"volume_molar": 12.282005534535557,
"formula_full": "Er1 S1",
"formula_reduced": "ErS",
"formula_anonymous": "AB",
"energy": -13.10783288,
"energy_per_atom": -6.55391644,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.60483288,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006325,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:01.504000Z",
"spacegroup": 225
},
{
"id": "mp-998894",
"created_at": "2022-09-04T14:44:14.802172Z",
"structure_string": "Y1 C1\n1.0\n0.000000 2.732459 2.732459\n2.732459 0.000000 2.732459\n2.732459 2.732459 0.000000\nY C\n1 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.250000 0.250000 0.250000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Y",
"C"
],
"chemical_system": "C-Y",
"density": 4.1069605794958,
"density_atomic": 0.0490161320696,
"volume": 40.80289316097236,
"volume_molar": 12.286038301530844,
"formula_full": "Y1 C1",
"formula_reduced": "YC",
"formula_anonymous": "AB",
"energy": -14.7063274,
"energy_per_atom": -7.3531637,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.7063274,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0135469,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:28.970000Z",
"spacegroup": 216
},
{
"id": "mp-2170",
"created_at": "2022-09-04T14:43:35.967334Z",
"structure_string": "Li2 Pt1\n1.0\n2.081277 -3.604877 0.000000\n2.081277 3.604877 0.000000\n0.000000 0.000000 2.719216\nLi Pt\n2 1\ndirect\n0.333333 0.666667 0.500000 Li\n0.666667 0.333333 0.500000 Li\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Li",
"Pt"
],
"chemical_system": "Li-Pt",
"density": 8.504145626259909,
"density_atomic": 0.07352367661137271,
"volume": 40.80318257011589,
"volume_molar": 8.190750296440548,
"formula_full": "Li2 Pt1",
"formula_reduced": "Li2Pt",
"formula_anonymous": "AB2",
"energy": -11.51548427,
"energy_per_atom": -3.8384947566666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.51548427,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008466,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:24.262000Z",
"spacegroup": 191
},
{
"id": "mp-2592",
"created_at": "2022-09-04T14:40:28.134453Z",
"structure_string": "Si2 Mo1\n1.0\n-1.610188 1.610188 3.934521\n1.610188 -1.610188 3.934521\n1.610188 1.610188 -3.934521\nSi Mo\n2 1\ndirect\n0.664840 0.664840 0.000000 Si\n0.335160 0.335160 0.000000 Si\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Si",
"Mo"
],
"chemical_system": "Mo-Si",
"density": 6.190200108190454,
"density_atomic": 0.07352181577329592,
"volume": 40.80421529917708,
"volume_molar": 8.190957604432997,
"formula_full": "Si2 Mo1",
"formula_reduced": "Si2Mo",
"formula_anonymous": "AB2",
"energy": -23.19117503,
"energy_per_atom": -7.730391676666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.19117503,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001386,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:58.576000Z",
"spacegroup": 139
}
]
}