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=-nelements&page=10220",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nelements&page=10218",
"results": [
{
"id": "mp-1207507",
"created_at": "2022-09-04T14:40:41.125236Z",
"structure_string": "Zr12 Co2 I28\n1.0\n7.480712 -8.135774 0.000000\n7.480712 8.135774 0.000000\n0.000000 0.000000 13.352575\nZr Co I\n12 2 28\ndirect\n0.954769 0.176611 0.113468 Zr\n0.045231 0.823389 0.886532 Zr\n0.545231 0.323389 0.613468 Zr\n0.676611 0.454769 0.386532 Zr\n0.454769 0.676611 0.386532 Zr\n0.323389 0.545231 0.613468 Zr\n0.823389 0.045231 0.886532 Zr\n0.176611 0.954769 0.113468 Zr\n0.362192 0.362192 0.398575 Zr\n0.637808 0.637808 0.601425 Zr\n0.137808 0.137808 0.898575 Zr\n0.862192 0.862192 0.101425 Zr\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.286205 0.534899 0.254511 I\n0.713795 0.465101 0.745489 I\n0.213795 0.965101 0.754511 I\n0.034899 0.786205 0.245489 I\n0.786205 0.034899 0.245489 I\n0.965101 0.213795 0.754511 I\n0.465101 0.713795 0.745489 I\n0.534899 0.286205 0.254511 I\n0.114008 0.360454 0.009454 I\n0.885992 0.639546 0.990546 I\n0.385992 0.139546 0.509454 I\n0.860454 0.614008 0.490546 I\n0.614008 0.860454 0.490546 I\n0.139546 0.385992 0.509454 I\n0.639546 0.885992 0.990546 I\n0.360454 0.114008 0.009454 I\n0.896700 0.396700 0.250000 I\n0.103300 0.603300 0.750000 I\n0.603300 0.103300 0.750000 I\n0.396700 0.896700 0.250000 I\n0.750059 0.249941 0.000000 I\n0.249941 0.750059 0.000000 I\n0.749941 0.250059 0.500000 I\n0.250059 0.749941 0.500000 I\n0.150873 0.150873 0.261802 I\n0.849127 0.849127 0.738198 I\n0.349127 0.349127 0.761802 I\n0.650873 0.650873 0.238198 I\n",
"nsites": 42,
"nelements": 3,
"elements": [
"Zr",
"Co",
"I"
],
"chemical_system": "Co-I-Zr",
"density": 4.869174362181066,
"density_atomic": 0.025841186921628765,
"volume": 1625.3123406203335,
"volume_molar": 23.304427843287417,
"formula_full": "Zr12 Co2 I28",
"formula_reduced": "Zr6CoI14",
"formula_anonymous": "AB6C14",
"energy": -208.16770994,
"energy_per_atom": -4.956374046190477,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -197.55570994000004,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9856032,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.088000Z",
"spacegroup": 64
},
{
"id": "mp-1071879",
"created_at": "2022-09-04T14:40:57.908110Z",
"structure_string": "Gd2 B2 C2\n1.0\n1.702427 -8.089527 0.000000\n1.702427 8.089527 0.000000\n0.000000 0.000000 3.547940\nGd B C\n2 2 2\ndirect\n0.136244 0.863756 0.000000 Gd\n0.863756 0.136244 0.000000 Gd\n0.719639 0.280361 0.500000 B\n0.280361 0.719639 0.500000 B\n0.627016 0.372984 0.500000 C\n0.372984 0.627016 0.500000 C\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Gd",
"B",
"C"
],
"chemical_system": "B-C-Gd",
"density": 6.119651178909796,
"density_atomic": 0.06139787786903295,
"volume": 97.72324725617594,
"volume_molar": 9.808385841682922,
"formula_full": "Gd2 B2 C2",
"formula_reduced": "GdBC",
"formula_anonymous": "ABC",
"energy": -59.91037209999999,
"energy_per_atom": -9.985062016666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -59.91037209999999,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.7508901,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:02.918000Z",
"spacegroup": 65
},
{
"id": "mp-865255",
"created_at": "2022-09-04T14:40:41.096460Z",
"structure_string": "Lu1 Nb1 Ru2\n1.0\n0.000000 3.245931 3.245931\n3.245931 0.000000 3.245931\n3.245931 3.245931 0.000000\nLu Nb Ru\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Lu\n0.000000 0.000000 0.000000 Nb\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Lu",
"Nb",
"Ru"
],
"chemical_system": "Lu-Nb-Ru",
"density": 11.410678581016846,
"density_atomic": 0.05848064376869233,
"volume": 68.39869984710059,
"volume_molar": 10.297664957005754,
"formula_full": "Lu1 Nb1 Ru2",
"formula_reduced": "LuNbRu2",
"formula_anonymous": "ABC2",
"energy": -34.9027395,
"energy_per_atom": -8.725684875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.9027395,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.46e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.699000Z",
"spacegroup": 225
},
{
"id": "mp-753734",
"created_at": "2022-09-04T14:40:41.102719Z",
"structure_string": "Mn4 Cr2 O12\n1.0\n2.530999 -4.401058 0.000000\n2.530999 4.401058 0.000000\n0.000000 0.000000 9.610523\nMn Cr O\n4 2 12\ndirect\n0.332958 0.667042 0.000000 Mn\n0.167042 0.832958 0.500000 Mn\n0.832958 0.167042 0.500000 Mn\n0.667042 0.332958 0.000000 Mn\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.165349 0.500645 0.600015 O\n0.834651 0.499355 0.399985 O\n0.000645 0.665349 0.899985 O\n0.334651 0.999355 0.100015 O\n0.666193 0.666193 0.099335 O\n0.833807 0.833807 0.599335 O\n0.166193 0.166193 0.400665 O\n0.499355 0.834651 0.399985 O\n0.333807 0.333807 0.900665 O\n0.665349 0.000645 0.899985 O\n0.999355 0.334651 0.100015 O\n0.500645 0.165349 0.600015 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"Cr",
"O"
],
"chemical_system": "Cr-Mn-O",
"density": 3.9999213788561145,
"density_atomic": 0.0840710403025674,
"volume": 214.10464215999843,
"volume_molar": 7.163157180316339,
"formula_full": "Mn4 Cr2 O12",
"formula_reduced": "Mn2CrO6",
"formula_anonymous": "AB2C6",
"energy": -147.98365386,
"energy_per_atom": -8.221314103333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -129.06965386,
"band_gap": 0.7083999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.99689,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.979000Z",
"spacegroup": 64
},
{
"id": "mp-20238",
"created_at": "2022-09-04T14:40:41.129772Z",
"structure_string": "Th1 Fe2 Ge2\n1.0\n-2.065015 2.065015 4.928153\n2.065015 -2.065015 4.928153\n2.065015 2.065015 -4.928153\nTh Fe Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.750000 0.250000 0.500000 Fe\n0.250000 0.750000 0.500000 Fe\n0.636145 0.636145 0.000000 Ge\n0.363855 0.363855 0.000000 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Th",
"Fe",
"Ge"
],
"chemical_system": "Fe-Ge-Th",
"density": 9.659942018291172,
"density_atomic": 0.059481157210058526,
"volume": 84.06023410644872,
"volume_molar": 10.124451242151741,
"formula_full": "Th1 Fe2 Ge2",
"formula_reduced": "Th(FeGe)2",
"formula_anonymous": "AB2C2",
"energy": -36.03348256,
"energy_per_atom": -7.206696512000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.03348256,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0119426,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:04.659000Z",
"spacegroup": 139
},
{
"id": "mp-984049",
"created_at": "2022-09-04T14:40:41.130618Z",
"structure_string": "Ce1 Y1 Zn2\n1.0\n0.000000 3.609732 3.609732\n3.609732 0.000000 3.609732\n3.609732 3.609732 0.000000\nCe Y Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Y\n0.750000 0.750000 0.750000 Zn\n0.250000 0.250000 0.250000 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ce",
"Y",
"Zn"
],
"chemical_system": "Ce-Y-Zn",
"density": 6.351897488036667,
"density_atomic": 0.04252116132136705,
"volume": 94.07080793886935,
"volume_molar": 14.162691170369918,
"formula_full": "Ce1 Y1 Zn2",
"formula_reduced": "CeYZn2",
"formula_anonymous": "ABC2",
"energy": -16.0144251,
"energy_per_atom": -4.003606275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.0144251,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0158957,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:07.108000Z",
"spacegroup": 225
},
{
"id": "mp-1079559",
"created_at": "2022-09-04T14:40:41.166862Z",
"structure_string": "Cd2 P2 Se6\n1.0\n7.374492 -3.313758 0.000000\n7.374492 3.313758 0.000000\n5.885441 0.000000 5.543076\nCd P Se\n2 2 6\ndirect\n0.168591 0.168591 0.168591 Cd\n0.831409 0.831409 0.831409 Cd\n0.446477 0.446477 0.446477 P\n0.553523 0.553523 0.553523 P\n0.410728 0.738397 0.098582 Se\n0.738397 0.098582 0.410728 Se\n0.098582 0.410728 0.738397 Se\n0.589272 0.261603 0.901418 Se\n0.261603 0.901418 0.589272 Se\n0.901418 0.589272 0.261603 Se\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cd",
"P",
"Se"
],
"chemical_system": "Cd-P-Se",
"density": 4.661561827736523,
"density_atomic": 0.03691188916654536,
"volume": 270.9154211771794,
"volume_molar": 16.314908003836592,
"formula_full": "Cd2 P2 Se6",
"formula_reduced": "CdPSe3",
"formula_anonymous": "ABC3",
"energy": -39.54051489,
"energy_per_atom": -3.954051489,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.70851489,
"band_gap": 1.0486,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005082,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:06.659000Z",
"spacegroup": 148
},
{
"id": "mp-1280464",
"created_at": "2022-09-04T14:40:41.178626Z",
"structure_string": "Co2 H2 O4\n1.0\n-2.867355 -0.022981 0.937745\n1.547816 -2.537685 -0.037399\n4.162385 2.677738 8.079184\nCo H O\n2 2 4\ndirect\n0.000042 0.499957 0.499971 Co\n0.999957 0.000036 0.000028 Co\n0.507609 0.245128 0.777562 H\n0.492379 0.754895 0.222468 H\n0.391558 0.203120 0.598883 O\n0.420856 0.718686 0.114628 O\n0.579056 0.281378 0.885398 O\n0.608543 0.796800 0.401064 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Co",
"H",
"O"
],
"chemical_system": "Co-H-O",
"density": 4.20674361677193,
"density_atomic": 0.110218055778207,
"volume": 72.58338884237341,
"volume_molar": 5.463842305582326,
"formula_full": "Co2 H2 O4",
"formula_reduced": "CoHO2",
"formula_anonymous": "ABC2",
"energy": -50.47809778,
"energy_per_atom": -6.3097622225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.45409778,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0010755,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.675000Z",
"spacegroup": 166
},
{
"id": "mp-864949",
"created_at": "2022-09-04T14:40:41.158301Z",
"structure_string": "Mn1 Ga1 Rh2\n1.0\n0.000000 3.035366 3.035366\n3.035366 0.000000 3.035366\n3.035366 3.035366 0.000000\nMn Ga Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Ga\n0.750000 0.750000 0.750000 Rh\n0.250000 0.250000 0.250000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Ga",
"Rh"
],
"chemical_system": "Ga-Mn-Rh",
"density": 9.811166235195396,
"density_atomic": 0.07151494355115476,
"volume": 55.93236603953681,
"volume_molar": 8.42081453324836,
"formula_full": "Mn1 Ga1 Rh2",
"formula_reduced": "MnGaRh2",
"formula_anonymous": "ABC2",
"energy": -29.03545395,
"energy_per_atom": -7.2588634875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.03545395,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0813435,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.313000Z",
"spacegroup": 225
},
{
"id": "mp-865163",
"created_at": "2022-09-04T14:40:41.189159Z",
"structure_string": "Hf1 Be1 Rh2\n1.0\n0.000000 3.070972 3.070972\n3.070972 0.000000 3.070972\n3.070972 3.070972 0.000000\nHf Be Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Be\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Be",
"Rh"
],
"chemical_system": "Be-Hf-Rh",
"density": 11.275350052437668,
"density_atomic": 0.06905616009332576,
"volume": 57.923869421557924,
"volume_molar": 8.720642375512039,
"formula_full": "Hf1 Be1 Rh2",
"formula_reduced": "HfBeRh2",
"formula_anonymous": "ABC2",
"energy": -31.51543229,
"energy_per_atom": -7.8788580725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.51543229,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003919,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.350000Z",
"spacegroup": 225
},
{
"id": "mp-1214394",
"created_at": "2022-09-04T14:40:41.269468Z",
"structure_string": "Ce6 In8 Ge2\n1.0\n-4.165796 4.165796 5.776510\n4.165796 -4.165796 5.776510\n4.165796 4.165796 -5.776510\nCe In Ge\n6 8 2\ndirect\n0.663235 0.163235 0.826471 Ce\n0.336765 0.836765 0.173529 Ce\n0.163235 0.336765 0.500000 Ce\n0.836765 0.663235 0.500000 Ce\n0.750000 0.750000 0.000000 Ce\n0.250000 0.250000 0.000000 Ce\n0.326010 0.826010 0.788575 In\n0.673990 0.173990 0.211425 In\n0.037435 0.537435 0.211425 In\n0.826010 0.037435 0.500000 In\n0.462565 0.673990 0.500000 In\n0.962565 0.462565 0.788575 In\n0.173990 0.962565 0.500000 In\n0.537435 0.326010 0.500000 In\n0.500000 0.500000 0.000000 Ge\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ce",
"In",
"Ge"
],
"chemical_system": "Ce-Ge-In",
"density": 7.887023177072926,
"density_atomic": 0.03990234916189228,
"volume": 400.9788981366639,
"volume_molar": 15.092196039804321,
"formula_full": "Ce6 In8 Ge2",
"formula_reduced": "Ce3In4Ge",
"formula_anonymous": "AB3C4",
"energy": -74.09057016,
"energy_per_atom": -4.630660635,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -74.09057016,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.3659375,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:03.483000Z",
"spacegroup": 140
},
{
"id": "mp-760425",
"created_at": "2022-09-04T14:40:41.270463Z",
"structure_string": "Tb4 Zr4 O14\n1.0\n0.000000 5.307710 5.307710\n5.307710 0.000000 5.307710\n5.307710 5.307710 0.000000\nTb Zr O\n4 4 14\ndirect\n0.625000 0.625000 0.625000 Tb\n0.125000 0.625000 0.625000 Tb\n0.625000 0.125000 0.625000 Tb\n0.625000 0.625000 0.125000 Tb\n0.125000 0.125000 0.625000 Zr\n0.125000 0.625000 0.125000 Zr\n0.625000 0.125000 0.125000 Zr\n0.125000 0.125000 0.125000 Zr\n0.500000 0.500000 0.500000 O\n0.750000 0.750000 0.750000 O\n0.215344 0.784656 0.784656 O\n0.215344 0.215344 0.784656 O\n0.784656 0.215344 0.784656 O\n0.784656 0.784656 0.215344 O\n0.215344 0.784656 0.215344 O\n0.465344 0.034656 0.034656 O\n0.784656 0.215344 0.215344 O\n0.034656 0.465344 0.034656 O\n0.465344 0.034656 0.465344 O\n0.465344 0.465344 0.034656 O\n0.034656 0.034656 0.465344 O\n0.034656 0.465344 0.465344 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Tb",
"Zr",
"O"
],
"chemical_system": "O-Tb-Zr",
"density": 6.799670962175793,
"density_atomic": 0.07356498096433012,
"volume": 299.05533463900804,
"volume_molar": 8.186151455568227,
"formula_full": "Tb4 Zr4 O14",
"formula_reduced": "Tb2Zr2O7",
"formula_anonymous": "A2B2C7",
"energy": -207.11594554,
"energy_per_atom": -9.414361160909092,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -197.49794554,
"band_gap": 2.7126,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0005044,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:07.722000Z",
"spacegroup": 227
}
]
}