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=band_gap&page=57",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=band_gap&page=55",
"results": [
{
"id": "mp-867166",
"created_at": "2022-09-04T14:47:08.992212Z",
"structure_string": "Pu2 O4\n1.0\n5.079813 0.000000 0.000000\n0.000000 5.079813 0.000000\n0.000000 0.000000 3.545839\nPu O\n2 4\ndirect\n0.500000 0.500000 0.000000 Pu\n0.000000 0.000000 0.500000 Pu\n0.810694 0.810694 0.000000 O\n0.189306 0.189306 0.000000 O\n0.689306 0.310694 0.500000 O\n0.310694 0.689306 0.500000 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Pu",
"O"
],
"chemical_system": "O-Pu",
"density": 10.017787710265948,
"density_atomic": 0.06557477175538576,
"volume": 91.49860288316155,
"volume_molar": 9.183624431762347,
"formula_full": "Pu2 O4",
"formula_reduced": "PuO2",
"formula_anonymous": "AB2",
"energy": -69.68857703,
"energy_per_atom": -11.614762838333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.94057703,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9998048,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:53.972000Z",
"spacegroup": 136
},
{
"id": "mp-1195945",
"created_at": "2022-09-04T14:47:08.656474Z",
"structure_string": "Ba4 Ce4 Sn8 Se24\n1.0\n4.289702 0.000000 0.000000\n0.000000 20.453322 0.000000\n0.000000 0.000000 12.529613\nBa Ce Sn Se\n4 4 8 24\ndirect\n0.500000 0.078818 0.318246 Ba\n0.500000 0.921182 0.818246 Ba\n0.500000 0.360101 0.753551 Ba\n0.500000 0.639899 0.253551 Ba\n0.500000 0.118801 0.682873 Ce\n0.500000 0.881199 0.182873 Ce\n0.500000 0.580998 0.875759 Ce\n0.500000 0.419002 0.375759 Ce\n0.500000 0.254333 0.102939 Sn\n0.500000 0.745667 0.602939 Sn\n0.000000 0.092971 0.996376 Sn\n0.000000 0.907029 0.496376 Sn\n0.000000 0.248014 0.498638 Sn\n0.000000 0.751986 0.998638 Sn\n0.000000 0.575826 0.545872 Sn\n0.000000 0.424174 0.045872 Sn\n0.500000 0.013047 0.065263 Se\n0.500000 0.986953 0.565263 Se\n0.500000 0.170202 0.916552 Se\n0.500000 0.829798 0.416552 Se\n0.500000 0.504227 0.593839 Se\n0.500000 0.495773 0.093839 Se\n0.500000 0.737935 0.872673 Se\n0.500000 0.262065 0.372673 Se\n0.000000 0.041954 0.789107 Se\n0.000000 0.958046 0.289107 Se\n0.000000 0.116573 0.506978 Se\n0.000000 0.883427 0.006978 Se\n0.000000 0.166484 0.179191 Se\n0.000000 0.833516 0.679191 Se\n0.000000 0.230117 0.709201 Se\n0.000000 0.769883 0.209201 Se\n0.000000 0.311746 0.949942 Se\n0.000000 0.688254 0.449942 Se\n0.000000 0.379280 0.538318 Se\n0.000000 0.620720 0.038318 Se\n0.000000 0.477724 0.842383 Se\n0.000000 0.522276 0.342383 Se\n0.000000 0.640134 0.738619 Se\n0.000000 0.359866 0.238619 Se\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Ba",
"Ce",
"Sn",
"Se"
],
"chemical_system": "Ba-Ce-Se-Sn",
"density": 5.9732564757612305,
"density_atomic": 0.03638575200561463,
"volume": 1099.3314084542671,
"volume_molar": 16.55082120900163,
"formula_full": "Ba4 Ce4 Sn8 Se24",
"formula_reduced": "BaCe(SnSe3)2",
"formula_anonymous": "ABC2D6",
"energy": -202.07362171,
"energy_per_atom": -5.05184054275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -190.74562171,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.6487807,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:54.775000Z",
"spacegroup": 26
},
{
"id": "mp-1936",
"created_at": "2022-09-04T14:47:08.084334Z",
"structure_string": "Ta2 As2\n1.0\n-1.734807 1.734807 5.867445\n1.734807 -1.734807 5.867445\n1.734807 1.734807 -5.867445\nTa As\n2 2\ndirect\n0.499936 0.999936 0.500000 Ta\n0.749936 0.749936 0.000000 Ta\n0.917764 0.417764 0.500000 As\n0.167764 0.167764 0.000000 As\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ta",
"As"
],
"chemical_system": "As-Ta",
"density": 12.030570688698356,
"density_atomic": 0.056630271133164246,
"volume": 70.63360142836204,
"volume_molar": 10.634137254683331,
"formula_full": "Ta2 As2",
"formula_reduced": "TaAs",
"formula_anonymous": "AB",
"energy": -35.17682402,
"energy_per_atom": -8.794206005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.17682402,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00032,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:51.406000Z",
"spacegroup": 109
},
{
"id": "mp-1212739",
"created_at": "2022-09-04T14:47:07.224698Z",
"structure_string": "Eu1 Ga3 B4 O12\n1.0\n3.761785 -4.785544 0.000000\n3.761785 4.785544 0.000000\n-2.326131 0.000000 5.625084\nEu Ga B O\n1 3 4 12\ndirect\n0.500000 0.500000 0.500000 Eu\n0.049705 0.950295 0.500000 Ga\n0.950295 0.500000 0.049705 Ga\n0.500000 0.049705 0.950295 Ga\n0.447889 0.552111 0.000000 B\n0.552111 0.000000 0.447889 B\n0.000000 0.447889 0.552111 B\n0.000000 0.000000 0.000000 B\n0.284929 0.522066 0.121867 O\n0.522066 0.121867 0.284929 O\n0.715071 0.878133 0.477934 O\n0.121867 0.284929 0.522066 O\n0.477934 0.715071 0.878133 O\n0.878133 0.477934 0.715071 O\n0.855019 0.144981 0.000000 O\n0.144981 0.000000 0.855019 O\n0.000000 0.855019 0.144981 O\n0.593057 0.406943 0.000000 O\n0.406943 0.000000 0.593057 O\n0.000000 0.593057 0.406943 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Eu",
"Ga",
"B",
"O"
],
"chemical_system": "B-Eu-Ga-O",
"density": 4.889680115534251,
"density_atomic": 0.09875195537163804,
"volume": 202.52763527297284,
"volume_molar": 6.098249637018917,
"formula_full": "Eu1 Ga3 B4 O12",
"formula_reduced": "EuGa3(BO3)4",
"formula_anonymous": "AB3C4D12",
"energy": -158.98065641,
"energy_per_atom": -7.949032820499999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -150.73665641,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9969468,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:56.902000Z",
"spacegroup": 155
},
{
"id": "mp-983602",
"created_at": "2022-09-04T14:47:08.145602Z",
"structure_string": "Cd1 Ag2 Au1\n1.0\n0.000000 3.348189 3.348189\n3.348189 0.000000 3.348189\n3.348189 3.348189 0.000000\nCd Ag Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.750000 0.750000 0.750000 Ag\n0.250000 0.250000 0.250000 Ag\n0.500000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cd",
"Ag",
"Au"
],
"chemical_system": "Ag-Au-Cd",
"density": 11.615630208515805,
"density_atomic": 0.053284402461564594,
"volume": 75.06887222551295,
"volume_molar": 11.301882880912336,
"formula_full": "Cd1 Ag2 Au1",
"formula_reduced": "CdAg2Au",
"formula_anonymous": "ABC2",
"energy": -10.15077971,
"energy_per_atom": -2.5376949275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.15077971,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007267,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:58.523000Z",
"spacegroup": 225
},
{
"id": "mp-1073598",
"created_at": "2022-09-04T14:47:08.774370Z",
"structure_string": "Mg4 Si8\n1.0\n1.784185 5.033247 0.000000\n-1.784185 5.033247 0.000000\n0.000000 2.862441 11.447965\nMg Si\n4 8\ndirect\n0.846839 0.846839 0.127108 Mg\n0.512366 0.512366 0.935936 Mg\n0.783950 0.783950 0.576426 Mg\n0.211197 0.211197 0.352453 Mg\n0.802825 0.802825 0.889614 Si\n0.182513 0.182513 0.032775 Si\n0.939138 0.939138 0.326748 Si\n0.057410 0.057410 0.608094 Si\n0.552033 0.552033 0.182338 Si\n0.180005 0.180005 0.775303 Si\n0.427413 0.427413 0.731972 Si\n0.497907 0.497907 0.461242 Si\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.599734843316941,
"density_atomic": 0.058362626760306915,
"volume": 205.6110333978548,
"volume_molar": 10.318488207757857,
"formula_full": "Mg4 Si8",
"formula_reduced": "MgSi2",
"formula_anonymous": "AB2",
"energy": -47.16262775,
"energy_per_atom": -3.9302189791666664,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.73062775,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002904,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:58.129000Z",
"spacegroup": 8
},
{
"id": "mp-1178675",
"created_at": "2022-09-04T14:47:08.594193Z",
"structure_string": "Zn4 B12 O36\n1.0\n7.565897 0.000000 0.000000\n0.000000 8.753316 0.000000\n0.000000 0.000000 8.889255\nZn B O\n4 12 36\ndirect\n0.250000 0.208713 0.965240 Zn\n0.250000 0.291287 0.465240 Zn\n0.750000 0.791287 0.034760 Zn\n0.750000 0.708713 0.534760 Zn\n0.420151 0.082926 0.251016 B\n0.079849 0.417074 0.751016 B\n0.920151 0.917074 0.748984 B\n0.579849 0.582926 0.248984 B\n0.579849 0.917074 0.748984 B\n0.920151 0.582926 0.248984 B\n0.079849 0.082926 0.251016 B\n0.420151 0.417074 0.751016 B\n0.250000 0.850973 0.315220 B\n0.250000 0.649027 0.815220 B\n0.750000 0.149027 0.684780 B\n0.750000 0.350973 0.184780 B\n0.451763 0.171339 0.382884 O\n0.048237 0.328661 0.882884 O\n0.951763 0.828661 0.617116 O\n0.548237 0.671339 0.117116 O\n0.548237 0.828661 0.617116 O\n0.951763 0.671339 0.117116 O\n0.048237 0.171339 0.382884 O\n0.451763 0.328661 0.882884 O\n0.250000 0.127259 0.171096 O\n0.250000 0.372741 0.671096 O\n0.750000 0.872741 0.828904 O\n0.750000 0.627259 0.328904 O\n0.547895 0.102616 0.124897 O\n0.952105 0.397384 0.624897 O\n0.047895 0.897384 0.875103 O\n0.452105 0.602616 0.375103 O\n0.452105 0.897384 0.875103 O\n0.047895 0.602616 0.375103 O\n0.952105 0.102616 0.124897 O\n0.547895 0.397384 0.624897 O\n0.409718 0.922286 0.300942 O\n0.090282 0.577714 0.800942 O\n0.909718 0.077714 0.699058 O\n0.590282 0.422286 0.199058 O\n0.590282 0.077714 0.699058 O\n0.909718 0.422286 0.199058 O\n0.090282 0.922286 0.300942 O\n0.409718 0.577714 0.800942 O\n0.250000 0.689727 0.342074 O\n0.250000 0.810273 0.842074 O\n0.750000 0.310273 0.657926 O\n0.750000 0.189727 0.157926 O\n0.250000 0.076112 0.786535 O\n0.250000 0.423888 0.286535 O\n0.750000 0.923888 0.213465 O\n0.750000 0.576112 0.713465 O\n",
"nsites": 52,
"nelements": 3,
"elements": [
"Zn",
"B",
"O"
],
"chemical_system": "B-O-Zn",
"density": 2.7285550533745977,
"density_atomic": 0.08832933224773454,
"volume": 588.7059108989663,
"volume_molar": 6.817826657072294,
"formula_full": "Zn4 B12 O36",
"formula_reduced": "Zn(BO3)3",
"formula_anonymous": "AB3C9",
"energy": -338.30156887000004,
"energy_per_atom": -6.505799401346154,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -313.56956887,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 18.6250813,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:58.639000Z",
"spacegroup": 62
},
{
"id": "mp-1215129",
"created_at": "2022-09-04T14:47:08.147148Z",
"structure_string": "Al2 Cu12 S2 Cl2 O38\n1.0\n3.934361 -6.814513 0.000000\n3.934361 6.814513 0.000000\n0.000000 0.000000 14.289698\nAl Cu S Cl O\n2 12 2 2 38\ndirect\n0.666667 0.333333 0.384099 Al\n0.333333 0.666667 0.884099 Al\n0.757765 0.800730 0.889951 Cu\n0.042965 0.242235 0.889951 Cu\n0.957035 0.199270 0.389951 Cu\n0.199270 0.957035 0.889951 Cu\n0.800730 0.757765 0.389951 Cu\n0.242235 0.042965 0.389951 Cu\n0.623473 0.090668 0.876882 Cu\n0.467194 0.376527 0.876882 Cu\n0.532806 0.909332 0.376882 Cu\n0.909332 0.532806 0.876882 Cu\n0.090668 0.623473 0.376882 Cu\n0.376527 0.467194 0.376882 Cu\n0.000000 0.000000 0.602081 S\n0.000000 0.000000 0.102081 S\n0.666667 0.333333 0.749376 Cl\n0.333333 0.666667 0.249376 Cl\n0.846841 0.294649 0.938357 O\n0.447807 0.153159 0.938357 O\n0.552193 0.705351 0.438357 O\n0.705351 0.552193 0.938357 O\n0.294649 0.846841 0.438357 O\n0.153159 0.447807 0.438357 O\n0.820814 0.037550 0.829889 O\n0.216736 0.179186 0.829889 O\n0.783264 0.962450 0.329889 O\n0.962450 0.783264 0.829889 O\n0.037550 0.820814 0.329889 O\n0.179186 0.216736 0.329889 O\n0.842074 0.036489 0.632723 O\n0.194415 0.157926 0.632723 O\n0.805585 0.963511 0.132723 O\n0.963511 0.805585 0.632723 O\n0.036489 0.842074 0.132723 O\n0.157926 0.194415 0.132723 O\n0.420158 0.634983 0.626256 O\n0.214825 0.579842 0.626256 O\n0.785175 0.365017 0.126256 O\n0.365017 0.785175 0.626256 O\n0.634983 0.420158 0.126256 O\n0.579842 0.214825 0.126256 O\n0.495787 0.597054 0.815068 O\n0.101267 0.504213 0.815068 O\n0.898733 0.402946 0.315068 O\n0.402946 0.898733 0.815068 O\n0.597054 0.495787 0.315068 O\n0.504213 0.101267 0.315068 O\n0.000000 0.000000 0.992918 O\n0.000000 0.000000 0.492918 O\n0.567369 0.831372 0.952149 O\n0.264003 0.432631 0.952149 O\n0.735997 0.168628 0.452149 O\n0.168628 0.735997 0.952149 O\n0.831372 0.567369 0.452149 O\n0.432631 0.264003 0.452149 O\n",
"nsites": 56,
"nelements": 5,
"elements": [
"Al",
"Cu",
"S",
"Cl",
"O"
],
"chemical_system": "Al-Cl-Cu-O-S",
"density": 3.37971651815636,
"density_atomic": 0.07308461274645138,
"volume": 766.2351608029704,
"volume_molar": 8.239957131458434,
"formula_full": "Al2 Cu12 S2 Cl2 O38",
"formula_reduced": "AlCu6SClO19",
"formula_anonymous": "ABCD6E19",
"energy": -278.47705345,
"energy_per_atom": -4.972804525892857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -277.24905345,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0047623,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:53.949000Z",
"spacegroup": 159
},
{
"id": "mp-866072",
"created_at": "2022-09-04T14:47:08.152094Z",
"structure_string": "Mg1 Ta1 Rh2\n1.0\n0.000000 3.152440 3.152440\n3.152440 0.000000 3.152440\n3.152440 3.152440 0.000000\nMg Ta Rh\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Ta\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Ta",
"Rh"
],
"chemical_system": "Mg-Rh-Ta",
"density": 10.894014039872173,
"density_atomic": 0.06383950447039838,
"volume": 62.65712795209356,
"volume_molar": 9.433251103620949,
"formula_full": "Mg1 Ta1 Rh2",
"formula_reduced": "MgTaRh2",
"formula_anonymous": "ABC2",
"energy": -30.44917614,
"energy_per_atom": -7.612294035,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.44917614,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0109283,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:57.474000Z",
"spacegroup": 225
},
{
"id": "mp-1227296",
"created_at": "2022-09-04T14:47:08.666896Z",
"structure_string": "Bi1 Sb1 Pt2\n1.0\n2.157945 -3.737671 0.000000\n2.157945 3.737671 0.000000\n0.000000 0.000000 5.601110\nBi Sb Pt\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Bi\n0.333333 0.666667 0.500000 Sb\n0.666667 0.333333 0.744564 Pt\n0.666667 0.333333 0.255436 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Bi",
"Sb",
"Pt"
],
"chemical_system": "Bi-Pt-Sb",
"density": 13.24901657521241,
"density_atomic": 0.04427050247996838,
"volume": 90.35361642461432,
"volume_molar": 13.603054907101884,
"formula_full": "Bi1 Sb1 Pt2",
"formula_reduced": "BiSbPt2",
"formula_anonymous": "ABC2",
"energy": -21.67810883,
"energy_per_atom": -5.4195272075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.48610883,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003541,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:58.269000Z",
"spacegroup": 187
},
{
"id": "mp-638051",
"created_at": "2022-09-04T14:47:08.185749Z",
"structure_string": "Lu4 Ni4 Ge8\n1.0\n-2.062537 4.228893 7.892403\n2.062537 -4.228893 7.892403\n2.062537 4.228893 -7.892403\nLu Ni Ge\n4 4 8\ndirect\n0.238190 0.500000 0.738190 Lu\n0.761810 0.500000 0.261810 Lu\n0.796673 0.296673 0.500000 Lu\n0.203327 0.703327 0.500000 Lu\n0.898797 0.147310 0.751486 Ni\n0.101203 0.852690 0.248514 Ni\n0.395824 0.147310 0.248514 Ni\n0.604176 0.852690 0.751486 Ni\n0.145672 0.303254 0.842418 Ge\n0.579382 0.079382 0.500000 Ge\n0.077101 0.077101 0.000000 Ge\n0.854328 0.696746 0.157582 Ge\n0.922899 0.922899 0.000000 Ge\n0.460837 0.303254 0.157582 Ge\n0.420618 0.920618 0.500000 Ge\n0.539163 0.696746 0.842418 Ge\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Lu",
"Ni",
"Ge"
],
"chemical_system": "Ge-Lu-Ni",
"density": 9.140760054733102,
"density_atomic": 0.05810617577013281,
"volume": 275.3579940159161,
"volume_molar": 10.364028745969279,
"formula_full": "Lu4 Ni4 Ge8",
"formula_reduced": "LuNiGe2",
"formula_anonymous": "ABC2",
"energy": -88.70354866,
"energy_per_atom": -5.54397179125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -88.70354866,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006102,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:52.531000Z",
"spacegroup": 71
},
{
"id": "mp-1245811",
"created_at": "2022-09-04T14:47:10.888720Z",
"structure_string": "Cu1 As2\n1.0\n0.000000 4.266764 0.000000\n3.033085 -2.133382 2.133382\n0.000000 0.000000 -4.266764\nCu As\n1 2\ndirect\n0.250000 0.500000 0.750000 Cu\n0.000000 0.000000 0.000000 As\n0.500000 0.000000 0.500000 As\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Cu",
"As"
],
"chemical_system": "As-Cu",
"density": 6.417113298498724,
"density_atomic": 0.0543299654852945,
"volume": 55.218146619511664,
"volume_molar": 11.084381714967247,
"formula_full": "Cu1 As2",
"formula_reduced": "CuAs2",
"formula_anonymous": "AB2",
"energy": -12.963075540000002,
"energy_per_atom": -4.32102518,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.963075540000002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.54e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:53.867000Z",
"spacegroup": 225
}
]
}