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=12119",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nsites&page=12117",
"results": [
{
"id": "mp-639445",
"created_at": "2022-09-04T14:39:36.967279Z",
"structure_string": "Ce1 Bi1\n1.0\n3.947144 0.000000 0.000000\n0.000000 3.947144 0.000000\n0.000000 0.000000 3.947144\nCe Bi\n1 1\ndirect\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ce",
"Bi"
],
"chemical_system": "Bi-Ce",
"density": 9.426393295157185,
"density_atomic": 0.032522287426724694,
"volume": 61.49628941402597,
"volume_molar": 18.516965553448117,
"formula_full": "Ce1 Bi1",
"formula_reduced": "CeBi",
"formula_anonymous": "AB",
"energy": -11.09563911,
"energy_per_atom": -5.547819555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.09563911,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0089259,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:28.017000Z",
"spacegroup": 221
},
{
"id": "mp-1038814",
"created_at": "2022-09-04T14:39:39.318022Z",
"structure_string": "Mg1 Cd1\n1.0\n3.505626 0.000000 0.000000\n0.000000 3.505626 0.000000\n0.000000 0.000000 3.505626\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": 5.269527765443745,
"density_atomic": 0.046423005285697407,
"volume": 43.08208802277145,
"volume_molar": 12.972319915391987,
"formula_full": "Mg1 Cd1",
"formula_reduced": "MgCd",
"formula_anonymous": "AB",
"energy": -2.69350669,
"energy_per_atom": -1.346753345,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.69350669,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002694,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.306000Z",
"spacegroup": 221
},
{
"id": "mp-1219705",
"created_at": "2022-09-04T14:39:42.579504Z",
"structure_string": "Pr1 Y1\n1.0\n1.830559 -3.170622 0.000000\n1.830559 3.170622 0.000000\n0.000000 0.000000 5.947929\nPr Y\n1 1\ndirect\n0.000000 0.000000 0.000000 Pr\n0.333333 0.666667 0.500000 Y\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pr",
"Y"
],
"chemical_system": "Pr-Y",
"density": 5.527142521053438,
"density_atomic": 0.028967167093201865,
"volume": 69.04368637654485,
"volume_molar": 20.789539897442378,
"formula_full": "Pr1 Y1",
"formula_reduced": "PrY",
"formula_anonymous": "AB",
"energy": -11.18902068,
"energy_per_atom": -5.59451034,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.18902068,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0178402,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.063000Z",
"spacegroup": 187
},
{
"id": "mp-23703",
"created_at": "2022-09-04T14:39:34.145810Z",
"structure_string": "Li1 H1\n1.0\n0.000000 2.000087 2.000087\n2.000087 0.000000 2.000087\n2.000087 2.000087 0.000000\nLi H\n1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 H\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Li",
"H"
],
"chemical_system": "H-Li",
"density": 0.824862688740225,
"density_atomic": 0.12498368891908461,
"volume": 16.002088090829318,
"volume_molar": 4.818341346844691,
"formula_full": "Li1 H1",
"formula_reduced": "LiH",
"formula_anonymous": "AB",
"energy": -6.29270928,
"energy_per_atom": -3.14635464,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.11370928,
"band_gap": 2.981,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001272,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:37.926000Z",
"spacegroup": 225
},
{
"id": "mp-1216325",
"created_at": "2022-09-04T14:39:39.964919Z",
"structure_string": "V1 Ga1\n1.0\n1.388186 -2.404409 0.000000\n1.388186 2.404409 0.000000\n0.000000 0.000000 4.354836\nV Ga\n1 1\ndirect\n0.000000 0.000000 0.000000 V\n0.333333 0.666667 0.500000 Ga\n",
"nsites": 2,
"nelements": 2,
"elements": [
"V",
"Ga"
],
"chemical_system": "Ga-V",
"density": 6.892405334732054,
"density_atomic": 0.06879742611136712,
"volume": 29.070855016617376,
"volume_molar": 8.753439046181098,
"formula_full": "V1 Ga1",
"formula_reduced": "VGa",
"formula_anonymous": "AB",
"energy": -12.3629232,
"energy_per_atom": -6.1814616,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.3629232,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001645,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.895000Z",
"spacegroup": 187
},
{
"id": "mp-1958",
"created_at": "2022-09-04T14:39:42.445874Z",
"structure_string": "Sr1 Te1\n1.0\n0.000000 3.362074 3.362074\n3.362074 0.000000 3.362074\n3.362074 3.362074 0.000000\nSr Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sr",
"Te"
],
"chemical_system": "Sr-Te",
"density": 4.701970764493499,
"density_atomic": 0.026313474401050127,
"volume": 76.00668651799867,
"volume_molar": 22.886148245629116,
"formula_full": "Sr1 Te1",
"formula_reduced": "SrTe",
"formula_anonymous": "AB",
"energy": -8.74098592,
"energy_per_atom": -4.37049296,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.31898592,
"band_gap": 1.7616,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002466,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:32.155000Z",
"spacegroup": 225
},
{
"id": "mp-1239193",
"created_at": "2022-09-04T14:39:33.639591Z",
"structure_string": "Rh2\n1.0\n5.086717 0.000000 0.000000\n0.000000 2.548028 0.000000\n0.000000 0.000000 2.548028\nRh\n2\ndirect\n0.250000 0.500000 0.500000 Rh\n0.750000 0.500000 0.500000 Rh\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Rh"
],
"chemical_system": "Rh",
"density": 10.348364365248235,
"density_atomic": 0.06055974351694433,
"volume": 33.02523894343128,
"volume_molar": 9.944131877498842,
"formula_full": "Rh2",
"formula_reduced": "Rh",
"formula_anonymous": "A",
"energy": -13.1436029,
"energy_per_atom": -6.57180145,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.1436029,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0080942,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.373000Z",
"spacegroup": 221
},
{
"id": "mp-1206743",
"created_at": "2022-09-04T14:43:13.668707Z",
"structure_string": "Hf1 S1\n1.0\n1.696749 -2.938855 0.000000\n1.696749 2.938855 0.000000\n0.000000 0.000000 3.445095\nHf S\n1 1\ndirect\n0.000000 0.000000 0.000000 Hf\n0.666667 0.333333 0.500000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Hf",
"S"
],
"chemical_system": "Hf-S",
"density": 10.176248356772211,
"density_atomic": 0.05821072882085818,
"volume": 34.35792749056521,
"volume_molar": 10.345413778502865,
"formula_full": "Hf1 S1",
"formula_reduced": "HfS",
"formula_anonymous": "AB",
"energy": -17.61019457,
"energy_per_atom": -8.805097285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.10719457,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.49e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:09.264000Z",
"spacegroup": 187
},
{
"id": "mp-999484",
"created_at": "2022-09-04T14:43:24.011949Z",
"structure_string": "Y1 Ti1\n1.0\n3.658092 0.000000 0.000000\n0.000000 3.658092 0.000000\n0.000000 0.000000 3.658092\nY Ti\n1 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Ti\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Y",
"Ti"
],
"chemical_system": "Ti-Y",
"density": 4.639648964268992,
"density_atomic": 0.040856967080048066,
"volume": 48.95125955094871,
"volume_molar": 14.739568769755378,
"formula_full": "Y1 Ti1",
"formula_reduced": "YTi",
"formula_anonymous": "AB",
"energy": -13.63301247,
"energy_per_atom": -6.816506235,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.63301247,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.3310634,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:15.528000Z",
"spacegroup": 221
},
{
"id": "mp-1240",
"created_at": "2022-09-04T14:43:13.713314Z",
"structure_string": "Ho1 S1\n1.0\n0.000000 2.745768 2.745768\n2.745768 0.000000 2.745768\n2.745768 2.745768 0.000000\nHo S\n1 1\ndirect\n0.000000 0.000000 0.000000 Ho\n0.500000 0.500000 0.500000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ho",
"S"
],
"chemical_system": "Ho-S",
"density": 7.901026030880695,
"density_atomic": 0.04830682365736472,
"volume": 41.40201836050725,
"volume_molar": 12.466439115753955,
"formula_full": "Ho1 S1",
"formula_reduced": "HoS",
"formula_anonymous": "AB",
"energy": -13.16312462,
"energy_per_atom": -6.58156231,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.66012462,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006198,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:02.042000Z",
"spacegroup": 225
},
{
"id": "mp-570354",
"created_at": "2022-09-04T14:43:21.791029Z",
"structure_string": "Cu1 Br1\n1.0\n0.000000 2.682763 2.682763\n2.682763 0.000000 2.682763\n2.682763 2.682763 0.000000\nCu Br\n1 1\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Br\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cu",
"Br"
],
"chemical_system": "Br-Cu",
"density": 6.168402866283765,
"density_atomic": 0.051790854427306375,
"volume": 38.61685662682394,
"volume_molar": 11.627807315773627,
"formula_full": "Cu1 Br1",
"formula_reduced": "CuBr",
"formula_anonymous": "AB",
"energy": -6.41031488,
"energy_per_atom": -3.20515744,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.87631488,
"band_gap": 0.2019000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009586,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:15.985000Z",
"spacegroup": 225
},
{
"id": "mp-672698",
"created_at": "2022-09-04T14:43:18.924962Z",
"structure_string": "Ge1 Te1\n1.0\n3.704259 0.000000 0.000000\n0.000000 3.704259 0.000000\n0.000000 0.000000 3.704259\nGe Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Ge\n0.500000 0.500000 0.500000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ge",
"Te"
],
"chemical_system": "Ge-Te",
"density": 6.541779475114815,
"density_atomic": 0.039348298874984595,
"volume": 50.82811855105344,
"volume_molar": 15.304704224020554,
"formula_full": "Ge1 Te1",
"formula_reduced": "GeTe",
"formula_anonymous": "AB",
"energy": -7.721541149999999,
"energy_per_atom": -3.8607705749999996,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.29954115,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0056244,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:09.817000Z",
"spacegroup": 221
}
]
}