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=spacegroup&page=10141",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=spacegroup&page=10139",
"results": [
{
"id": "mp-1184301",
"created_at": "2022-09-04T14:39:06.938923Z",
"structure_string": "Ga6 Ag2\n1.0\n2.907178 -5.035381 0.000000\n2.907178 5.035381 0.000000\n0.000000 0.000000 5.142811\nGa Ag\n6 2\ndirect\n0.166501 0.333002 0.250000 Ga\n0.666998 0.833499 0.250000 Ga\n0.166501 0.833499 0.250000 Ga\n0.833499 0.666998 0.750000 Ga\n0.333002 0.166501 0.750000 Ga\n0.833499 0.166501 0.750000 Ga\n0.333333 0.666667 0.750000 Ag\n0.666667 0.333333 0.250000 Ag\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ga",
"Ag"
],
"chemical_system": "Ag-Ga",
"density": 6.992859407357946,
"density_atomic": 0.05313191471606831,
"volume": 150.56863737644704,
"volume_molar": 11.334319104029516,
"formula_full": "Ga6 Ag2",
"formula_reduced": "Ga3Ag",
"formula_anonymous": "AB3",
"energy": -23.33062783,
"energy_per_atom": -2.91632847875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.33062783,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013853,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.107000Z",
"spacegroup": 194
},
{
"id": "mp-1186291",
"created_at": "2022-09-04T14:39:07.023929Z",
"structure_string": "Nd6 Y2\n1.0\n3.689800 -6.390921 0.000000\n3.689800 6.390921 0.000000\n0.000000 0.000000 5.993695\nNd Y\n6 2\ndirect\n0.167302 0.334603 0.250000 Nd\n0.665397 0.832698 0.250000 Nd\n0.167302 0.832698 0.250000 Nd\n0.832698 0.665397 0.750000 Nd\n0.334603 0.167302 0.750000 Nd\n0.832698 0.167302 0.750000 Nd\n0.333333 0.666667 0.750000 Y\n0.666667 0.333333 0.250000 Y\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Nd",
"Y"
],
"chemical_system": "Nd-Y",
"density": 6.12847308828867,
"density_atomic": 0.02830082372792259,
"volume": 282.67728448154384,
"volume_molar": 21.279029960030254,
"formula_full": "Nd6 Y2",
"formula_reduced": "Nd3Y",
"formula_anonymous": "AB3",
"energy": -41.34385517,
"energy_per_atom": -5.16798189625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.34385517,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0743793,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.204000Z",
"spacegroup": 194
},
{
"id": "mp-1185228",
"created_at": "2022-09-04T14:39:07.224160Z",
"structure_string": "Ho2 Pu6\n1.0\n3.453162 -5.981053 0.000000\n3.453162 5.981053 0.000000\n0.000000 0.000000 5.567709\nHo Pu\n2 6\ndirect\n0.333333 0.666667 0.750000 Ho\n0.666667 0.333333 0.250000 Ho\n0.163777 0.327553 0.250000 Pu\n0.672447 0.836223 0.250000 Pu\n0.163777 0.836223 0.250000 Pu\n0.836223 0.672447 0.750000 Pu\n0.327553 0.163777 0.750000 Pu\n0.836223 0.163777 0.750000 Pu\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ho",
"Pu"
],
"chemical_system": "Ho-Pu",
"density": 12.951995063849235,
"density_atomic": 0.03478474779368814,
"volume": 229.98585608407484,
"volume_molar": 17.312589976842514,
"formula_full": "Ho2 Pu6",
"formula_reduced": "HoPu3",
"formula_anonymous": "AB3",
"energy": -93.24010393,
"energy_per_atom": -11.65501299125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -93.24010393,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 36.4411832,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.127000Z",
"spacegroup": 194
},
{
"id": "mp-1202952",
"created_at": "2022-09-04T14:39:07.354252Z",
"structure_string": "Tb4 Al34\n1.0\n4.738229 -8.206853 0.000000\n4.738229 8.206853 0.000000\n0.000000 0.000000 8.876703\nTb Al\n4 34\ndirect\n0.000000 0.000000 0.250000 Tb\n0.000000 0.000000 0.750000 Tb\n0.333333 0.666667 0.750000 Tb\n0.666667 0.333333 0.250000 Tb\n0.333333 0.666667 0.398643 Al\n0.666667 0.333333 0.601357 Al\n0.666667 0.333333 0.898643 Al\n0.333333 0.666667 0.101357 Al\n0.500000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.500000 0.000000 0.000000 Al\n0.000000 0.500000 0.000000 Al\n0.327587 0.364331 0.250000 Al\n0.635669 0.963255 0.250000 Al\n0.036745 0.672413 0.250000 Al\n0.635669 0.672413 0.250000 Al\n0.036745 0.364331 0.250000 Al\n0.327587 0.963255 0.250000 Al\n0.672413 0.635669 0.750000 Al\n0.364331 0.036745 0.750000 Al\n0.963255 0.327587 0.750000 Al\n0.364331 0.327587 0.750000 Al\n0.963255 0.635669 0.750000 Al\n0.672413 0.036745 0.750000 Al\n0.163340 0.836660 0.526591 Al\n0.163340 0.326680 0.526591 Al\n0.673320 0.836660 0.526591 Al\n0.836660 0.163340 0.473409 Al\n0.836660 0.673320 0.473409 Al\n0.326680 0.163340 0.473409 Al\n0.836660 0.163340 0.026591 Al\n0.836660 0.673320 0.026591 Al\n0.326680 0.163340 0.026591 Al\n0.163340 0.836660 0.973409 Al\n0.163340 0.326680 0.973409 Al\n0.673320 0.836660 0.973409 Al\n",
"nsites": 38,
"nelements": 2,
"elements": [
"Tb",
"Al"
],
"chemical_system": "Al-Tb",
"density": 3.7356551672737006,
"density_atomic": 0.05504390170920011,
"volume": 690.3580382211284,
"volume_molar": 10.940613897276567,
"formula_full": "Tb4 Al34",
"formula_reduced": "Tb2Al17",
"formula_anonymous": "A2B17",
"energy": -149.68533782,
"energy_per_atom": -3.939087837368421,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -149.68533782,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.012461,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:26.162000Z",
"spacegroup": 194
},
{
"id": "mp-1183653",
"created_at": "2022-09-04T14:39:07.840376Z",
"structure_string": "Cd6 Os2\n1.0\n2.990935 -5.180451 0.000000\n2.990935 5.180451 0.000000\n0.000000 0.000000 4.859414\nCd Os\n6 2\ndirect\n0.827480 0.172520 0.750000 Cd\n0.345041 0.172520 0.750000 Cd\n0.827480 0.654959 0.750000 Cd\n0.172520 0.827480 0.250000 Cd\n0.654959 0.827480 0.250000 Cd\n0.172520 0.345041 0.250000 Cd\n0.666667 0.333333 0.250000 Os\n0.333333 0.666667 0.750000 Os\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Cd",
"Os"
],
"chemical_system": "Cd-Os",
"density": 11.632756899183695,
"density_atomic": 0.05312531836201177,
"volume": 150.58733286990608,
"volume_molar": 11.335726440194364,
"formula_full": "Cd6 Os2",
"formula_reduced": "Cd3Os",
"formula_anonymous": "AB3",
"energy": -24.1213708,
"energy_per_atom": -3.01517135,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.1213708,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004104,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.776000Z",
"spacegroup": 194
},
{
"id": "mp-568375",
"created_at": "2022-09-04T14:39:07.944716Z",
"structure_string": "La8 Rh28\n1.0\n2.671031 -4.626362 0.000000\n2.671031 4.626362 0.000000\n0.000000 0.000000 26.637544\nLa Rh\n8 28\ndirect\n0.666667 0.333333 0.530045 La\n0.333333 0.666667 0.030045 La\n0.333333 0.666667 0.174570 La\n0.666667 0.333333 0.969955 La\n0.666667 0.333333 0.674570 La\n0.666667 0.333333 0.825430 La\n0.333333 0.666667 0.325430 La\n0.333333 0.666667 0.469955 La\n0.000000 0.000000 0.667291 Rh\n0.833302 0.666603 0.250000 Rh\n0.167016 0.334032 0.585527 Rh\n0.832984 0.167016 0.414473 Rh\n0.665968 0.832984 0.914473 Rh\n0.333333 0.666667 0.833232 Rh\n0.832984 0.665968 0.085527 Rh\n0.832984 0.665968 0.414473 Rh\n0.167016 0.832984 0.914473 Rh\n0.666667 0.333333 0.333232 Rh\n0.000000 0.000000 0.332709 Rh\n0.167016 0.832984 0.585527 Rh\n0.334032 0.167016 0.414473 Rh\n0.000000 0.000000 0.000000 Rh\n0.000000 0.000000 0.167291 Rh\n0.333333 0.666667 0.666768 Rh\n0.665968 0.832984 0.585527 Rh\n0.666603 0.833302 0.750000 Rh\n0.832984 0.167016 0.085527 Rh\n0.833302 0.166698 0.250000 Rh\n0.334032 0.167016 0.085527 Rh\n0.666667 0.333333 0.166768 Rh\n0.167016 0.334032 0.914473 Rh\n0.000000 0.000000 0.500000 Rh\n0.166698 0.333397 0.750000 Rh\n0.000000 0.000000 0.832709 Rh\n0.166698 0.833302 0.750000 Rh\n0.333397 0.166698 0.250000 Rh\n",
"nsites": 36,
"nelements": 2,
"elements": [
"La",
"Rh"
],
"chemical_system": "La-Rh",
"density": 10.07075289607698,
"density_atomic": 0.054683938277098595,
"volume": 658.3285903363081,
"volume_molar": 11.012631770382287,
"formula_full": "La8 Rh28",
"formula_reduced": "La2Rh7",
"formula_anonymous": "A2B7",
"energy": -262.01419515,
"energy_per_atom": -7.2781720875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -262.01419515,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1718669,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:43.935000Z",
"spacegroup": 194
},
{
"id": "mp-11193",
"created_at": "2022-09-04T14:39:08.096502Z",
"structure_string": "V2 Au2 S4\n1.0\n1.612737 -2.793343 0.000000\n1.612737 2.793343 0.000000\n0.000000 0.000000 15.188637\nV Au S\n2 2 4\ndirect\n0.333333 0.666667 0.250000 V\n0.666667 0.333333 0.750000 V\n0.000000 0.000000 0.000000 Au\n0.000000 0.000000 0.500000 Au\n0.000000 0.000000 0.344196 S\n0.000000 0.000000 0.844196 S\n0.000000 0.000000 0.155804 S\n0.000000 0.000000 0.655804 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"V",
"Au",
"S"
],
"chemical_system": "Au-S-V",
"density": 7.5726879250650985,
"density_atomic": 0.05845926784280166,
"volume": 136.8474203527863,
"volume_molar": 10.3014303500921,
"formula_full": "V2 Au2 S4",
"formula_reduced": "VAuS2",
"formula_anonymous": "ABC2",
"energy": -48.91089734,
"energy_per_atom": -6.1138621675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.89889734,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005032,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.842000Z",
"spacegroup": 194
},
{
"id": "mp-46",
"created_at": "2022-09-04T14:39:08.433028Z",
"structure_string": "Ti2\n1.0\n1.466907 -2.540757 0.000000\n1.466907 2.540757 0.000000\n0.000000 0.000000 4.657009\nTi\n2\ndirect\n0.333333 0.666667 0.250000 Ti\n0.666667 0.333333 0.750000 Ti\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ti"
],
"chemical_system": "Ti",
"density": 4.579441525890857,
"density_atomic": 0.05761389157589635,
"volume": 34.713850172147204,
"volume_molar": 10.452584602911035,
"formula_full": "Ti2",
"formula_reduced": "Ti",
"formula_anonymous": "A",
"energy": -15.78211434,
"energy_per_atom": -7.89105717,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.78211434,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002238,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:40.339000Z",
"spacegroup": 194
},
{
"id": "mp-9702",
"created_at": "2022-09-04T14:39:08.230512Z",
"structure_string": "Sr6 B2 P2 O6\n1.0\n2.654271 -4.597332 0.000000\n2.654271 4.597332 0.000000\n0.000000 0.000000 12.782437\nSr B P O\n6 2 2 6\ndirect\n0.333333 0.666667 0.399685 Sr\n0.000000 0.000000 0.250000 Sr\n0.000000 0.000000 0.750000 Sr\n0.666667 0.333333 0.899685 Sr\n0.666667 0.333333 0.600315 Sr\n0.333333 0.666667 0.100315 Sr\n0.333333 0.666667 0.750000 B\n0.666667 0.333333 0.250000 B\n0.000000 0.000000 0.000000 P\n0.000000 0.000000 0.500000 P\n0.515632 0.484368 0.250000 O\n0.968736 0.484368 0.250000 O\n0.484368 0.968736 0.750000 O\n0.515632 0.031264 0.250000 O\n0.031264 0.515632 0.750000 O\n0.484368 0.515632 0.750000 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Sr",
"B",
"P",
"O"
],
"chemical_system": "B-O-P-Sr",
"density": 3.7542183431090725,
"density_atomic": 0.05128911391979472,
"volume": 311.95703682891855,
"volume_molar": 11.741557417851572,
"formula_full": "Sr6 B2 P2 O6",
"formula_reduced": "Sr3BPO3",
"formula_anonymous": "ABC3D3",
"energy": -105.43664393,
"energy_per_atom": -6.589790245625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -101.31464393,
"band_gap": 2.0101,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001425,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:25.312000Z",
"spacegroup": 194
},
{
"id": "mp-974023",
"created_at": "2022-09-04T14:39:08.237654Z",
"structure_string": "In6 Cu2\n1.0\n3.523809 -6.103416 0.000000\n3.523809 6.103416 0.000000\n0.000000 0.000000 4.428760\nIn Cu\n6 2\ndirect\n0.180497 0.360995 0.250000 In\n0.639005 0.819503 0.250000 In\n0.180497 0.819503 0.250000 In\n0.819503 0.639005 0.750000 In\n0.360995 0.180497 0.750000 In\n0.819503 0.180497 0.750000 In\n0.333333 0.666667 0.750000 Cu\n0.666667 0.333333 0.250000 Cu\n",
"nsites": 8,
"nelements": 2,
"elements": [
"In",
"Cu"
],
"chemical_system": "Cu-In",
"density": 7.112819408787028,
"density_atomic": 0.04199450950488051,
"volume": 190.5010939363456,
"volume_molar": 14.340305032733196,
"formula_full": "In6 Cu2",
"formula_reduced": "In3Cu",
"formula_anonymous": "AB3",
"energy": -23.29704488,
"energy_per_atom": -2.91213061,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.29704488,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.010285,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:28.229000Z",
"spacegroup": 194
},
{
"id": "mp-1183662",
"created_at": "2022-09-04T14:39:08.267797Z",
"structure_string": "Cd6 Ga2\n1.0\n3.194609 -5.533224 0.000000\n3.194609 5.533224 0.000000\n0.000000 0.000000 5.057627\nCd Ga\n6 2\ndirect\n0.167966 0.335932 0.250000 Cd\n0.664068 0.832034 0.250000 Cd\n0.167966 0.832034 0.250000 Cd\n0.832034 0.664068 0.750000 Cd\n0.335932 0.167966 0.750000 Cd\n0.832034 0.167966 0.750000 Cd\n0.333333 0.666667 0.750000 Ga\n0.666667 0.333333 0.250000 Ga\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Cd",
"Ga"
],
"chemical_system": "Cd-Ga",
"density": 7.558816346467995,
"density_atomic": 0.04474218936017656,
"volume": 178.80215774868893,
"volume_molar": 13.459647026929117,
"formula_full": "Cd6 Ga2",
"formula_reduced": "Cd3Ga",
"formula_anonymous": "AB3",
"energy": -11.17625064,
"energy_per_atom": -1.39703133,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.17625064,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008503,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.430000Z",
"spacegroup": 194
},
{
"id": "mp-1197659",
"created_at": "2022-09-04T14:39:08.339989Z",
"structure_string": "Dy4 Nb4 Fe30\n1.0\n0.000089 0.000096 -8.474969\n-4.245881 -7.354524 0.000128\n-4.246174 7.354693 -0.000039\nDy Nb Fe\n4 4 30\ndirect\n0.750037 0.999974 0.000025 Dy\n0.249963 0.000026 0.999975 Dy\n0.249976 0.666727 0.333281 Dy\n0.750024 0.333273 0.666719 Dy\n0.599111 0.666719 0.333288 Nb\n0.400889 0.333281 0.666712 Nb\n0.099075 0.333272 0.666710 Nb\n0.900925 0.666728 0.333290 Nb\n0.499999 0.500000 0.999999 Fe\n0.499999 0.500000 0.500000 Fe\n0.499999 0.000000 0.500001 Fe\n0.000001 0.500000 0.000000 Fe\n0.000001 0.500000 0.500000 Fe\n0.000001 0.000000 0.500000 Fe\n0.750019 0.670130 0.028326 Fe\n0.750015 0.358227 0.329945 Fe\n0.750022 0.971740 0.641777 Fe\n0.750019 0.358222 0.028258 Fe\n0.750022 0.971678 0.329874 Fe\n0.750015 0.670059 0.641772 Fe\n0.249981 0.329870 0.971674 Fe\n0.249985 0.641773 0.670056 Fe\n0.249978 0.028260 0.358223 Fe\n0.249981 0.641778 0.971741 Fe\n0.249978 0.028323 0.670127 Fe\n0.249985 0.329940 0.358229 Fe\n0.488426 0.837047 0.674002 Fe\n0.488476 0.837005 0.163001 Fe\n0.488424 0.325997 0.162955 Fe\n0.511573 0.162953 0.325999 Fe\n0.511523 0.162995 0.836999 Fe\n0.511575 0.674003 0.837044 Fe\n0.988443 0.162943 0.325990 Fe\n0.988491 0.162988 0.836999 Fe\n0.988441 0.674015 0.837053 Fe\n0.011558 0.837058 0.674010 Fe\n0.011510 0.837012 0.163001 Fe\n0.011560 0.325984 0.162946 Fe\n",
"nsites": 38,
"nelements": 3,
"elements": [
"Dy",
"Nb",
"Fe"
],
"chemical_system": "Dy-Fe-Nb",
"density": 8.460881767824356,
"density_atomic": 0.07179151545032317,
"volume": 529.3104590652424,
"volume_molar": 8.388373921660811,
"formula_full": "Dy4 Nb4 Fe30",
"formula_reduced": "Dy2Nb2Fe15",
"formula_anonymous": "A2B2C15",
"energy": -313.5735385,
"energy_per_atom": -8.25193522368421,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -313.5735385,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 59.3577719,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:44.905000Z",
"spacegroup": 194
}
]
}