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=10369",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nsites&page=10367",
"results": [
{
"id": "mp-1220051",
"created_at": "2022-09-04T14:46:29.754714Z",
"structure_string": "Nd1 Ho1 Al4\n1.0\n0.000000 3.973176 3.973176\n3.973176 0.000000 3.973176\n3.973176 3.973176 0.000000\nNd Ho Al\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Nd\n0.250000 0.250000 0.250000 Ho\n0.624918 0.624918 0.125245 Al\n0.624918 0.125245 0.624918 Al\n0.125245 0.624918 0.624918 Al\n0.624918 0.624918 0.624918 Al\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Nd",
"Ho",
"Al"
],
"chemical_system": "Al-Ho-Nd",
"density": 5.5213374740248655,
"density_atomic": 0.04783082198230812,
"volume": 125.4421260462408,
"volume_molar": 12.59050233806874,
"formula_full": "Nd1 Ho1 Al4",
"formula_reduced": "NdHoAl4",
"formula_anonymous": "ABC4",
"energy": -27.32166399,
"energy_per_atom": -4.553610665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.32166399,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0093931,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:36.983000Z",
"spacegroup": 216
},
{
"id": "mp-1094123",
"created_at": "2022-09-04T14:46:25.872552Z",
"structure_string": "Mo2 O4\n1.0\n1.429255 -2.475543 0.000000\n1.429255 2.475543 0.000000\n0.000000 0.000000 10.460316\nMo O\n2 4\ndirect\n0.333333 0.666667 0.250000 Mo\n0.666667 0.333333 0.750000 Mo\n0.333333 0.666667 0.868306 O\n0.666667 0.333333 0.131694 O\n0.666667 0.333333 0.368306 O\n0.333333 0.666667 0.631694 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mo",
"O"
],
"chemical_system": "Mo-O",
"density": 5.740191368599116,
"density_atomic": 0.0810580693807984,
"volume": 74.02100797408482,
"volume_molar": 7.429415486950355,
"formula_full": "Mo2 O4",
"formula_reduced": "MoO2",
"formula_anonymous": "AB2",
"energy": -51.46698061,
"energy_per_atom": -8.577830101666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.31498061,
"band_gap": 0.4787999999999996,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0028675,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:41.384000Z",
"spacegroup": 194
},
{
"id": "mp-1216725",
"created_at": "2022-09-04T14:46:28.597370Z",
"structure_string": "U1 Pt2 Au3\n1.0\n-2.724853 2.748098 3.841888\n2.724853 -2.748098 3.841888\n2.724853 2.748098 -3.841888\nU Pt Au\n1 2 3\ndirect\n0.005084 0.005084 0.000000 U\n0.623251 0.374072 0.249179 Pt\n0.124893 0.374072 0.750821 Pt\n0.623601 0.374491 0.750890 Au\n0.623601 0.872712 0.249110 Au\n0.249570 0.749570 0.500000 Au\n",
"nsites": 6,
"nelements": 3,
"elements": [
"U",
"Pt",
"Au"
],
"chemical_system": "Au-Pt-U",
"density": 17.591676830836615,
"density_atomic": 0.05214002859447156,
"volume": 115.07473551014093,
"volume_molar": 11.549937586030653,
"formula_full": "U1 Pt2 Au3",
"formula_reduced": "UPt2Au3",
"formula_anonymous": "AB2C3",
"energy": -34.83994798,
"energy_per_atom": -5.806657996666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.83994798,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.3356192,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:38.912000Z",
"spacegroup": 44
},
{
"id": "mp-1387551",
"created_at": "2022-09-04T14:46:26.045755Z",
"structure_string": "Y4 Mg2\n1.0\n2.618615 -6.402046 0.000000\n2.618615 6.402046 0.000000\n0.000000 0.000000 5.235766\nY Mg\n4 2\ndirect\n0.090324 0.402843 0.750000 Y\n0.402843 0.090324 0.750000 Y\n0.597157 0.909676 0.250000 Y\n0.909676 0.597157 0.250000 Y\n0.740675 0.740675 0.750000 Mg\n0.259325 0.259325 0.250000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Y",
"Mg"
],
"chemical_system": "Mg-Y",
"density": 3.82367195871659,
"density_atomic": 0.03417831000122268,
"volume": 175.54993209978372,
"volume_molar": 17.619773358555666,
"formula_full": "Y4 Mg2",
"formula_reduced": "Y2Mg",
"formula_anonymous": "AB2",
"energy": -29.37414724,
"energy_per_atom": -4.895691206666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.37414724,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.5995168,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:39.964000Z",
"spacegroup": 63
},
{
"id": "mp-1185860",
"created_at": "2022-09-04T14:46:25.625271Z",
"structure_string": "Mg1 Cu5\n1.0\n-3.938863 2.274102 0.000000\n0.000000 -4.548208 0.000000\n-1.312955 2.274102 4.276390\nMg Cu\n1 5\ndirect\n0.833332 0.499999 0.500000 Mg\n0.656688 0.323354 0.000000 Cu\n0.333332 0.676645 0.000000 Cu\n0.009978 0.999999 0.000000 Cu\n0.501937 0.831395 0.494188 Cu\n0.164727 0.168604 0.505814 Cu\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Cu"
],
"chemical_system": "Cu-Mg",
"density": 7.413634105100247,
"density_atomic": 0.07831820978463432,
"volume": 76.61053561488804,
"volume_molar": 7.689323819530815,
"formula_full": "Mg1 Cu5",
"formula_reduced": "MgCu5",
"formula_anonymous": "AB5",
"energy": -22.23166188,
"energy_per_atom": -3.7052769800000003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.23166188,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.92e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:39.145000Z",
"spacegroup": 155
},
{
"id": "mp-2707",
"created_at": "2022-09-04T14:47:44.223776Z",
"structure_string": "U2 Sb4\n1.0\n4.311774 0.000000 0.000000\n0.000000 4.311774 0.000000\n0.000000 0.000000 8.699674\nU Sb\n2 4\ndirect\n0.000000 0.500000 0.281505 U\n0.500000 0.000000 0.718495 U\n0.500000 0.500000 0.000000 Sb\n0.000000 0.000000 0.000000 Sb\n0.000000 0.500000 0.643181 Sb\n0.500000 0.000000 0.356819 Sb\n",
"nsites": 6,
"nelements": 2,
"elements": [
"U",
"Sb"
],
"chemical_system": "Sb-U",
"density": 9.887910795612763,
"density_atomic": 0.037096786692393274,
"volume": 161.73907594078236,
"volume_molar": 16.233591361795344,
"formula_full": "U2 Sb4",
"formula_reduced": "USb2",
"formula_anonymous": "AB2",
"energy": -41.41350676,
"energy_per_atom": -6.902251126666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.64550676,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.8476341,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:23.411000Z",
"spacegroup": 129
},
{
"id": "mp-31900",
"created_at": "2022-09-04T14:47:38.809495Z",
"structure_string": "Ta1 Mn2 O3\n1.0\n2.551219 -4.418841 0.000000\n2.551219 4.418841 0.000000\n0.000000 0.000000 3.071486\nTa Mn O\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Ta\n0.666667 0.333333 0.500000 Mn\n0.333333 0.666667 0.500000 Mn\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ta",
"Mn",
"O"
],
"chemical_system": "Mn-O-Ta",
"density": 8.124305870401185,
"density_atomic": 0.08663963201538659,
"volume": 69.25237169675931,
"volume_molar": 6.950792172028744,
"formula_full": "Ta1 Mn2 O3",
"formula_reduced": "TaMn2O3",
"formula_anonymous": "AB2C3",
"energy": -52.9330095,
"energy_per_atom": -8.822168249999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.5360095,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.6288773,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:17.081000Z",
"spacegroup": 191
},
{
"id": "mp-962",
"created_at": "2022-09-04T14:47:36.667882Z",
"structure_string": "Sm2 Zn4\n1.0\n-2.279272 3.668062 3.793022\n2.279272 -3.668062 3.793022\n2.279272 3.668062 -3.793022\nSm Zn\n2 4\ndirect\n0.216384 0.466384 0.750000 Sm\n0.783616 0.533616 0.250000 Sm\n0.214831 0.165734 0.049096 Zn\n0.785169 0.834266 0.950904 Zn\n0.616638 0.165734 0.450904 Zn\n0.383362 0.834266 0.549096 Zn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sm",
"Zn"
],
"chemical_system": "Sm-Zn",
"density": 7.361770162080549,
"density_atomic": 0.04730129971847495,
"volume": 126.84640878179758,
"volume_molar": 12.73144880974142,
"formula_full": "Sm2 Zn4",
"formula_reduced": "SmZn2",
"formula_anonymous": "AB2",
"energy": -16.73839825,
"energy_per_atom": -2.7897330416666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.73839825,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.9e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:11.569000Z",
"spacegroup": 74
},
{
"id": "mp-390",
"created_at": "2022-09-04T14:47:32.646512Z",
"structure_string": "Ti2 O4\n1.0\n-1.901355 1.901355 4.873876\n1.901355 -1.901355 4.873876\n1.901355 1.901355 -4.873876\nTi O\n2 4\ndirect\n0.750000 0.250000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.956163 0.456163 0.500000 O\n0.793837 0.793837 0.000000 O\n0.543837 0.043837 0.500000 O\n0.206163 0.206163 0.000000 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ti",
"O"
],
"chemical_system": "O-Ti",
"density": 3.7633884705773997,
"density_atomic": 0.08513151478684353,
"volume": 70.47918758432873,
"volume_molar": 7.073926471387866,
"formula_full": "Ti2 O4",
"formula_reduced": "TiO2",
"formula_anonymous": "AB2",
"energy": -56.55426858,
"energy_per_atom": -9.42571143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -53.80626858,
"band_gap": 2.0586,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2e-07,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:10.296000Z",
"spacegroup": 141
},
{
"id": "mp-1207192",
"created_at": "2022-09-04T14:47:27.849521Z",
"structure_string": "Nd2 H2 Se2\n1.0\n2.007696 -3.477432 0.000000\n2.007696 3.477432 0.000000\n0.000000 0.000000 8.009414\nNd H Se\n2 2 2\ndirect\n0.333333 0.666667 0.250000 Nd\n0.666667 0.333333 0.750000 Nd\n0.333333 0.666667 0.750000 H\n0.666667 0.333333 0.250000 H\n0.000000 0.000000 0.000000 Se\n0.000000 0.000000 0.500000 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Nd",
"H",
"Se"
],
"chemical_system": "H-Nd-Se",
"density": 6.658043332670056,
"density_atomic": 0.0536492817616045,
"volume": 111.83747112704229,
"volume_molar": 11.225016556158076,
"formula_full": "Nd2 H2 Se2",
"formula_reduced": "NdHSe",
"formula_anonymous": "ABC",
"energy": -33.15467332,
"energy_per_atom": -5.525778886666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.85267332,
"band_gap": 1.6838000000000006,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:08.209000Z",
"spacegroup": 194
},
{
"id": "mp-1072185",
"created_at": "2022-09-04T14:47:45.814510Z",
"structure_string": "Pr2 As2 Se2\n1.0\n4.029334 0.000000 0.000000\n0.000000 4.029334 0.000000\n0.000000 0.000000 9.182237\nPr As Se\n2 2 2\ndirect\n0.500000 0.000000 0.723095 Pr\n0.000000 0.500000 0.276905 Pr\n0.000000 0.000000 0.000000 As\n0.500000 0.500000 0.000000 As\n0.500000 0.000000 0.375355 Se\n0.000000 0.500000 0.624645 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Pr",
"As",
"Se"
],
"chemical_system": "As-Pr-Se",
"density": 6.567131313689933,
"density_atomic": 0.040247250373727846,
"volume": 149.07850708520982,
"volume_molar": 14.962862565963182,
"formula_full": "Pr2 As2 Se2",
"formula_reduced": "PrAsSe",
"formula_anonymous": "ABC",
"energy": -35.34252302,
"energy_per_atom": -5.890420503333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.39852302,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.53e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:20.494000Z",
"spacegroup": 129
},
{
"id": "mp-1077251",
"created_at": "2022-09-04T14:47:37.530940Z",
"structure_string": "Er2 Si1 Rh3\n1.0\n4.174894 -2.785181 0.000000\n4.174894 2.785181 0.000000\n2.316828 0.000000 4.451885\nEr Si Rh\n2 1 3\ndirect\n0.629770 0.629770 0.629770 Er\n0.370230 0.370230 0.370230 Er\n0.000000 0.000000 0.000000 Si\n0.000000 0.000000 0.500000 Rh\n0.500000 0.000000 0.000000 Rh\n0.000000 0.500000 0.000000 Rh\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Er",
"Si",
"Rh"
],
"chemical_system": "Er-Rh-Si",
"density": 10.767276689313565,
"density_atomic": 0.05795333597746628,
"volume": 103.53157240737532,
"volume_molar": 10.391361702355772,
"formula_full": "Er2 Si1 Rh3",
"formula_reduced": "Er2SiRh3",
"formula_anonymous": "AB2C3",
"energy": -42.6209314,
"energy_per_atom": -7.103488566666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.6209314,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0065634,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:14.872000Z",
"spacegroup": 166
}
]
}