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=11515",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nsites&page=11513",
"results": [
{
"id": "mp-978509",
"created_at": "2022-09-04T14:46:38.704222Z",
"structure_string": "Si3 Ru1\n1.0\n0.000000 3.014680 3.014680\n3.014680 0.000000 3.014680\n3.014680 3.014680 0.000000\nSi Ru\n3 1\ndirect\n0.250000 0.250000 0.250000 Si\n0.750000 0.750000 0.750000 Si\n0.500000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Si",
"Ru"
],
"chemical_system": "Ru-Si",
"density": 5.616075872699205,
"density_atomic": 0.0729972226010251,
"volume": 54.796605370350456,
"volume_molar": 8.24982176776056,
"formula_full": "Si3 Ru1",
"formula_reduced": "Si3Ru",
"formula_anonymous": "AB3",
"energy": -24.70935885,
"energy_per_atom": -6.1773397125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.92235885,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.1e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:44.262000Z",
"spacegroup": 225
},
{
"id": "mp-22009",
"created_at": "2022-09-04T14:46:38.623104Z",
"structure_string": "Pb2 Se2\n1.0\n0.000000 3.125442 12.000799\n3.118151 0.000000 12.000799\n3.118151 3.125442 0.000000\nPb Se\n2 2\ndirect\n0.190730 0.194733 0.805267 Pb\n0.805267 0.809270 0.190730 Pb\n0.674423 0.704419 0.295581 Se\n0.295581 0.325577 0.674423 Se\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pb",
"Se"
],
"chemical_system": "Pb-Se",
"density": 4.062929403870794,
"density_atomic": 0.0171005960137743,
"volume": 233.9099758147642,
"volume_molar": 35.21596998811764,
"formula_full": "Pb2 Se2",
"formula_reduced": "PbSe",
"formula_anonymous": "AB",
"energy": -17.30947186,
"energy_per_atom": -4.327367965,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.36547186,
"band_gap": 1.2995,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0009406,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:42.693000Z",
"spacegroup": 42
},
{
"id": "mp-1093923",
"created_at": "2022-09-04T14:46:53.158863Z",
"structure_string": "Sc2 Ga1 Co1\n1.0\n-4.876169 5.218147 7.711720\n4.876169 -5.218147 7.711720\n4.876169 5.218147 -7.711720\nSc Ga Co\n2 1 1\ndirect\n0.000000 0.218067 0.218067 Sc\n0.000000 0.781933 0.781933 Sc\n0.000000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Co\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Ga",
"Co"
],
"chemical_system": "Co-Ga-Sc",
"density": 0.46241233548605765,
"density_atomic": 0.005096284785231492,
"volume": 784.8854937603934,
"volume_molar": 118.16727309767977,
"formula_full": "Sc2 Ga1 Co1",
"formula_reduced": "Sc2GaCo",
"formula_anonymous": "ABC2",
"energy": -14.19629164,
"energy_per_atom": -3.54907291,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.19629164,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:38.155000Z",
"spacegroup": 71
},
{
"id": "mp-4552",
"created_at": "2022-09-04T14:46:53.145446Z",
"structure_string": "Er1 In1 Cu2\n1.0\n0.000000 3.297622 3.297622\n3.297622 0.000000 3.297622\n3.297622 3.297622 0.000000\nEr In Cu\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Er\n0.500000 0.500000 0.500000 In\n0.250000 0.250000 0.250000 Cu\n0.750000 0.750000 0.750000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Er",
"In",
"Cu"
],
"chemical_system": "Cu-Er-In",
"density": 9.473690860720012,
"density_atomic": 0.055773433373200204,
"volume": 71.71873341980857,
"volume_molar": 10.797507694575087,
"formula_full": "Er1 In1 Cu2",
"formula_reduced": "ErInCu2",
"formula_anonymous": "ABC2",
"energy": -16.81052384,
"energy_per_atom": -4.20263096,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.81052384,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0030865,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:39.375000Z",
"spacegroup": 225
},
{
"id": "mp-22003",
"created_at": "2022-09-04T14:46:57.328391Z",
"structure_string": "Na1 N3\n1.0\n5.230024 -1.839620 0.000000\n5.230024 1.839620 0.000000\n4.582952 0.000000 3.119921\nNa N\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.577159 0.577159 0.577159 N\n0.500000 0.500000 0.500000 N\n0.422841 0.422841 0.422841 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"N"
],
"chemical_system": "N-Na",
"density": 1.7981378919072304,
"density_atomic": 0.06662766508917461,
"volume": 60.03512196692457,
"volume_molar": 9.038498875714696,
"formula_full": "Na1 N3",
"formula_reduced": "NaN3",
"formula_anonymous": "AB3",
"energy": -27.81833288,
"energy_per_atom": -6.95458322,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.73533288,
"band_gap": 4.0268,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.08e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:52.350000Z",
"spacegroup": 166
},
{
"id": "mp-1039164",
"created_at": "2022-09-04T14:46:39.165987Z",
"structure_string": "Mg2 Cd2\n1.0\n3.184373 0.000000 0.000000\n0.000000 5.242427 0.000000\n0.000000 0.000000 5.303635\nMg Cd\n2 2\ndirect\n0.000000 0.000000 0.086029 Mg\n0.500000 0.500000 0.913971 Mg\n0.500000 0.000000 0.594491 Cd\n0.000000 0.500000 0.405509 Cd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg",
"density": 5.1282416784940255,
"density_atomic": 0.045178315997925905,
"volume": 88.53804998361684,
"volume_molar": 13.32971499043141,
"formula_full": "Mg2 Cd2",
"formula_reduced": "MgCd",
"formula_anonymous": "AB",
"energy": -5.28208382,
"energy_per_atom": -1.320520955,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.28208382,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008766,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:38.358000Z",
"spacegroup": 59
},
{
"id": "mp-1187446",
"created_at": "2022-09-04T14:46:57.174377Z",
"structure_string": "Th1 Ti3\n1.0\n-2.362475 2.362475 3.625872\n2.362475 -2.362475 3.625872\n2.362475 2.362475 -3.625872\nTh Ti\n1 3\ndirect\n0.000000 0.000000 0.000000 Th\n0.750000 0.250000 0.500000 Ti\n0.250000 0.750000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Th",
"Ti"
],
"chemical_system": "Th-Ti",
"density": 7.705714952935376,
"density_atomic": 0.04941435016800453,
"volume": 80.94814535454468,
"volume_molar": 12.187028139650206,
"formula_full": "Th1 Ti3",
"formula_reduced": "ThTi3",
"formula_anonymous": "AB3",
"energy": -30.47624364,
"energy_per_atom": -7.61906091,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.47624364,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0155761,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:46.511000Z",
"spacegroup": 139
},
{
"id": "mp-865615",
"created_at": "2022-09-04T14:46:52.547873Z",
"structure_string": "Ga1 Si1 Ru2\n1.0\n0.000000 2.980417 2.980417\n2.980417 0.000000 2.980417\n2.980417 2.980417 0.000000\nGa Si Ru\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Si\n0.750000 0.750000 0.750000 Ru\n0.250000 0.250000 0.250000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ga",
"Si",
"Ru"
],
"chemical_system": "Ga-Ru-Si",
"density": 9.406643833552693,
"density_atomic": 0.07554381270707033,
"volume": 52.94940587008035,
"volume_molar": 7.971719382699853,
"formula_full": "Ga1 Si1 Ru2",
"formula_reduced": "GaSiRu2",
"formula_anonymous": "ABC2",
"energy": -28.9804773,
"energy_per_atom": -7.245119325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.9804773,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017994,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:42.111000Z",
"spacegroup": 225
},
{
"id": "mp-1184371",
"created_at": "2022-09-04T14:46:57.176015Z",
"structure_string": "Gd2 Ag1 Ir1\n1.0\n0.000000 3.556654 3.556654\n3.556654 0.000000 3.556654\n3.556654 3.556654 0.000000\nGd Ag Ir\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Gd\n0.750000 0.750000 0.750000 Gd\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Gd",
"Ag",
"Ir"
],
"chemical_system": "Ag-Gd-Ir",
"density": 11.341652728737643,
"density_atomic": 0.044453416194922726,
"volume": 89.98183587197202,
"volume_molar": 13.547082036605822,
"formula_full": "Gd2 Ag1 Ir1",
"formula_reduced": "Gd2AgIr",
"formula_anonymous": "ABC2",
"energy": -42.07207158,
"energy_per_atom": -10.518017895,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.07207158,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.1945101,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:44.410000Z",
"spacegroup": 225
},
{
"id": "mp-1206366",
"created_at": "2022-09-04T14:46:52.723315Z",
"structure_string": "Mn1 Fe2 P1\n1.0\n0.000000 2.778583 2.778583\n2.778583 0.000000 2.778583\n2.778583 2.778583 0.000000\nMn Fe P\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Mn\n0.250000 0.250000 0.250000 Fe\n0.750000 0.750000 0.750000 Fe\n0.000000 0.000000 0.000000 P\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Fe",
"P"
],
"chemical_system": "Fe-Mn-P",
"density": 7.6478593216333,
"density_atomic": 0.09323089917587644,
"volume": 42.90423062909815,
"volume_molar": 6.45938290119831,
"formula_full": "Mn1 Fe2 P1",
"formula_reduced": "MnFe2P",
"formula_anonymous": "ABC2",
"energy": -32.47805066,
"energy_per_atom": -8.119512665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.47805066,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0001074,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:42.854000Z",
"spacegroup": 225
},
{
"id": "mp-864922",
"created_at": "2022-09-04T14:46:56.906585Z",
"structure_string": "Mg1 Zn1 Au2\n1.0\n0.000000 3.245903 3.245903\n3.245903 0.000000 3.245903\n3.245903 3.245903 0.000000\nMg Zn Au\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Zn\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Zn",
"Au"
],
"chemical_system": "Au-Mg-Zn",
"density": 11.741973936727907,
"density_atomic": 0.058482157189288106,
"volume": 68.39692980293587,
"volume_molar": 10.297398470627973,
"formula_full": "Mg1 Zn1 Au2",
"formula_reduced": "MgZnAu2",
"formula_anonymous": "ABC2",
"energy": -11.10253654,
"energy_per_atom": -2.775634135,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.10253654,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.93e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:46.935000Z",
"spacegroup": 225
},
{
"id": "mp-1183326",
"created_at": "2022-09-04T14:46:34.935865Z",
"structure_string": "Ba1 Pm3\n1.0\n-2.708781 2.708781 5.233535\n2.708781 -2.708781 5.233535\n2.708781 2.708781 -5.233535\nBa Pm\n1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.750000 0.250000 0.500000 Pm\n0.250000 0.750000 0.500000 Pm\n0.500000 0.500000 0.000000 Pm\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ba",
"Pm"
],
"chemical_system": "Ba-Pm",
"density": 6.187146775242846,
"density_atomic": 0.026040965249704253,
"volume": 153.60413723701842,
"volume_molar": 23.12564339399206,
"formula_full": "Ba1 Pm3",
"formula_reduced": "BaPm3",
"formula_anonymous": "AB3",
"energy": -15.40604462,
"energy_per_atom": -3.851511155,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.40604462,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0021314,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:43.171000Z",
"spacegroup": 139
}
]
}