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=12146",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nsites&page=12144",
"results": [
{
"id": "mp-899",
"created_at": "2022-09-04T14:44:21.678728Z",
"structure_string": "In1 Rh1\n1.0\n3.243630 0.000000 0.000000\n0.000000 3.243630 0.000000\n0.000000 0.000000 3.243630\nIn Rh\n1 1\ndirect\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Rh\n",
"nsites": 2,
"nelements": 2,
"elements": [
"In",
"Rh"
],
"chemical_system": "In-Rh",
"density": 10.594012453164604,
"density_atomic": 0.05860518890078251,
"volume": 34.12667099130015,
"volume_molar": 10.275780818990912,
"formula_full": "In1 Rh1",
"formula_reduced": "InRh",
"formula_anonymous": "AB",
"energy": -10.94364468,
"energy_per_atom": -5.47182234,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.94364468,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.58e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:23.159000Z",
"spacegroup": 221
},
{
"id": "mp-1224965",
"created_at": "2022-09-04T14:44:25.003334Z",
"structure_string": "Fe1 Ni1\n1.0\n1.437016 -1.981312 0.000000\n1.437016 1.981312 0.000000\n0.000000 0.000000 3.949288\nFe Ni\n1 1\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Ni\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Fe",
"Ni"
],
"chemical_system": "Fe-Ni",
"density": 8.457401233143523,
"density_atomic": 0.08893377366435844,
"volume": 22.488644275324734,
"volume_molar": 6.771489066378687,
"formula_full": "Fe1 Ni1",
"formula_reduced": "FeNi",
"formula_anonymous": "AB",
"energy": -14.21814067,
"energy_per_atom": -7.109070335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.21814067,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.2573547,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:26.284000Z",
"spacegroup": 65
},
{
"id": "mp-2819",
"created_at": "2022-09-04T14:44:25.201441Z",
"structure_string": "In1 Te1\n1.0\n3.882356 0.000000 0.000000\n0.000000 3.882356 0.000000\n0.000000 0.000000 3.882356\nIn Te\n1 1\ndirect\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"In",
"Te"
],
"chemical_system": "In-Te",
"density": 6.8790409118863325,
"density_atomic": 0.03417778603857336,
"volume": 58.517541122844584,
"volume_molar": 17.620043478542925,
"formula_full": "In1 Te1",
"formula_reduced": "InTe",
"formula_anonymous": "AB",
"energy": -6.45839981,
"energy_per_atom": -3.229199905,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.03639981,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.86e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:35.646000Z",
"spacegroup": 221
},
{
"id": "mp-32641",
"created_at": "2022-09-04T14:44:25.320933Z",
"structure_string": "Li1 S1\n1.0\n0.000000 2.511647 2.511647\n2.511647 0.000000 2.511647\n2.511647 2.511647 0.000000\nLi S\n1 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Li",
"S"
],
"chemical_system": "Li-S",
"density": 2.0439709270783912,
"density_atomic": 0.06311378063101843,
"volume": 31.68880044902687,
"volume_molar": 9.541720840979552,
"formula_full": "Li1 S1",
"formula_reduced": "LiS",
"formula_anonymous": "AB",
"energy": -7.55601615,
"energy_per_atom": -3.778008075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.05301615,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0575722,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:36.297000Z",
"spacegroup": 225
},
{
"id": "mp-984827",
"created_at": "2022-09-04T14:44:15.074983Z",
"structure_string": "Ba1 Nd1\n1.0\n1.981659 -3.432334 0.000000\n1.981659 3.432334 0.000000\n0.000000 0.000000 6.583923\nBa Nd\n1 1\ndirect\n0.333333 0.666667 0.500000 Ba\n0.000000 0.000000 0.000000 Nd\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ba",
"Nd"
],
"chemical_system": "Ba-Nd",
"density": 5.2203633346370495,
"density_atomic": 0.02233041480446464,
"volume": 89.56394305761526,
"volume_molar": 26.9683336056792,
"formula_full": "Ba1 Nd1",
"formula_reduced": "BaNd",
"formula_anonymous": "AB",
"energy": -6.22454086,
"energy_per_atom": -3.11227043,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.22454086,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5151149,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:38.740000Z",
"spacegroup": 187
},
{
"id": "mp-1009596",
"created_at": "2022-09-04T14:44:24.558538Z",
"structure_string": "Pd1 N1\n1.0\n2.778339 0.000000 0.000000\n0.000000 2.778339 0.000000\n0.000000 0.000000 2.778339\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": 9.324298700123567,
"density_atomic": 0.09325546457693214,
"volume": 21.44646438761857,
"volume_molar": 6.457681367328311,
"formula_full": "Pd1 N1",
"formula_reduced": "PdN",
"formula_anonymous": "AB",
"energy": -10.84780607,
"energy_per_atom": -5.423903035,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.48680607,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0065062,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:36.601000Z",
"spacegroup": 221
},
{
"id": "mp-1002230",
"created_at": "2022-09-04T14:44:24.619184Z",
"structure_string": "Pu1 Bi1\n1.0\n3.870075 0.000000 0.000000\n0.000000 3.870075 0.000000\n0.000000 0.000000 3.870075\nPu Bi\n1 1\ndirect\n0.000000 0.000000 0.000000 Pu\n0.500000 0.500000 0.500000 Bi\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pu",
"Bi"
],
"chemical_system": "Bi-Pu",
"density": 12.976882249247337,
"density_atomic": 0.03450419115613804,
"volume": 57.96397286780667,
"volume_molar": 17.45336018093763,
"formula_full": "Pu1 Bi1",
"formula_reduced": "PuBi",
"formula_anonymous": "AB",
"energy": -18.85157409,
"energy_per_atom": -9.425787045,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.85157409,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.7960759,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:25.929000Z",
"spacegroup": 221
},
{
"id": "mp-30746",
"created_at": "2022-09-04T14:44:13.043536Z",
"structure_string": "Y1 Ir1\n1.0\n3.438202 0.000000 0.000000\n0.000000 3.438202 0.000000\n0.000000 0.000000 3.438202\nY Ir\n1 1\ndirect\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Y",
"Ir"
],
"chemical_system": "Ir-Y",
"density": 11.485531008146856,
"density_atomic": 0.049208013121884525,
"volume": 40.64378691832469,
"volume_molar": 12.238130292079894,
"formula_full": "Y1 Ir1",
"formula_reduced": "YIr",
"formula_anonymous": "AB",
"energy": -16.94554617,
"energy_per_atom": -8.472773085,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.94554617,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008222,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:32.293000Z",
"spacegroup": 221
},
{
"id": "mp-2260",
"created_at": "2022-09-04T14:44:15.749023Z",
"structure_string": "Fe1 Pt1\n1.0\n2.728143 0.000000 0.000000\n0.000000 2.728143 0.000000\n0.000000 0.000000 3.778984\nFe Pt\n1 1\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Pt\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Fe",
"Pt"
],
"chemical_system": "Fe-Pt",
"density": 14.814624174511733,
"density_atomic": 0.07110836301602406,
"volume": 28.12608693508112,
"volume_molar": 8.468962727552775,
"formula_full": "Fe1 Pt1",
"formula_reduced": "FePt",
"formula_anonymous": "AB",
"energy": -15.00514631,
"energy_per_atom": -7.502573155,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.00514631,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.2802089,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:25.969000Z",
"spacegroup": 123
},
{
"id": "mp-1144",
"created_at": "2022-09-04T14:44:22.398705Z",
"structure_string": "Er1 P1\n1.0\n0.000000 2.806723 2.806723\n2.806723 0.000000 2.806723\n2.806723 2.806723 0.000000\nEr P\n1 1\ndirect\n0.000000 0.000000 0.000000 Er\n0.500000 0.500000 0.500000 P\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Er",
"P"
],
"chemical_system": "Er-P",
"density": 7.443820179041452,
"density_atomic": 0.045227370565323145,
"volume": 44.2210098663893,
"volume_molar": 13.315257298237258,
"formula_full": "Er1 P1",
"formula_reduced": "ErP",
"formula_anonymous": "AB",
"energy": -13.19850021,
"energy_per_atom": -6.599250105,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.19850021,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.17e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:32.132000Z",
"spacegroup": 225
},
{
"id": "mp-1184549",
"created_at": "2022-09-04T14:44:15.146096Z",
"structure_string": "Hf1 Tl1\n1.0\n1.615786 -2.798624 0.000000\n1.615786 2.798624 0.000000\n0.000000 0.000000 5.193433\nHf Tl\n1 1\ndirect\n0.000000 0.000000 0.500000 Hf\n0.666667 0.333333 0.000000 Tl\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Hf",
"Tl"
],
"chemical_system": "Hf-Tl",
"density": 13.5360283434404,
"density_atomic": 0.042581119155458404,
"volume": 46.96917412382345,
"volume_molar": 14.142748897730723,
"formula_full": "Hf1 Tl1",
"formula_reduced": "HfTl",
"formula_anonymous": "AB",
"energy": -12.0500189,
"energy_per_atom": -6.02500945,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.0500189,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.176178,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:34.772000Z",
"spacegroup": 187
},
{
"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
}
]
}