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=formula_reduced&page=10374",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_reduced&page=10372",
"results": [
{
"id": "mp-1079659",
"created_at": "2022-09-04T14:40:24.491852Z",
"structure_string": "Ta2 B4 Mo4\n1.0\n6.126533 0.000000 0.000000\n0.000000 6.126533 0.000000\n0.000000 0.000000 3.192332\nTa B Mo\n2 4 4\ndirect\n0.500000 0.500000 0.000000 Ta\n0.000000 0.000000 0.000000 Ta\n0.109299 0.609299 0.000000 B\n0.890701 0.390701 0.000000 B\n0.609299 0.890701 0.000000 B\n0.390701 0.109299 0.000000 B\n0.673827 0.173827 0.500000 Mo\n0.326173 0.826173 0.500000 Mo\n0.173827 0.326173 0.500000 Mo\n0.826173 0.673827 0.500000 Mo\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ta",
"B",
"Mo"
],
"chemical_system": "B-Mo-Ta",
"density": 10.932848143147538,
"density_atomic": 0.08345692797332288,
"volume": 119.82228729047532,
"volume_molar": 7.215866802484014,
"formula_full": "Ta2 B4 Mo4",
"formula_reduced": "Ta(BMo)2",
"formula_anonymous": "AB2C2",
"energy": -98.36757136,
"energy_per_atom": -9.836757136,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -98.36757136,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010086,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:54.273000Z",
"spacegroup": 127
},
{
"id": "mp-1208744",
"created_at": "2022-09-04T14:42:38.462617Z",
"structure_string": "Ta4 B8 O8\n1.0\n-3.425090 3.425090 7.462090\n3.425090 -3.425090 7.462090\n3.425090 3.425090 -7.462090\nTa B O\n4 8 8\ndirect\n0.875000 0.125000 0.750000 Ta\n0.375000 0.125000 0.250000 Ta\n0.875000 0.625000 0.750000 Ta\n0.875000 0.125000 0.250000 Ta\n0.618133 0.334493 0.283640 B\n0.050853 0.334493 0.716360 B\n0.084493 0.300853 0.216360 B\n0.699147 0.915507 0.783640 B\n0.131867 0.915507 0.216360 B\n0.084493 0.868133 0.783640 B\n0.665507 0.949147 0.283640 B\n0.665507 0.381867 0.716360 B\n0.458236 0.254891 0.203345 O\n0.051546 0.254891 0.796655 O\n0.004891 0.301546 0.296655 O\n0.698454 0.995109 0.703345 O\n0.291764 0.995109 0.296655 O\n0.004891 0.708236 0.703345 O\n0.745109 0.948454 0.203345 O\n0.745109 0.541764 0.796655 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ta",
"B",
"O"
],
"chemical_system": "B-O-Ta",
"density": 4.44953536657049,
"density_atomic": 0.057117020702307154,
"volume": 350.15831978071174,
"volume_molar": 10.543513450022692,
"formula_full": "Ta4 B8 O8",
"formula_reduced": "Ta(BO)2",
"formula_anonymous": "AB2C2",
"energy": -161.99427776,
"energy_per_atom": -8.099713888,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -156.49827776,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0033559,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.210000Z",
"spacegroup": 141
},
{
"id": "mp-4624",
"created_at": "2022-09-04T14:39:10.604423Z",
"structure_string": "Ta2 B2 O8\n1.0\n-3.141149 3.141149 2.763385\n3.141149 -3.141149 2.763385\n3.141149 3.141149 -2.763385\nTa B O\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Ta\n0.250000 0.750000 0.500000 Ta\n0.500000 0.500000 0.000000 B\n0.750000 0.250000 0.500000 B\n0.324213 0.146310 0.822097 O\n0.752116 0.074213 0.677903 O\n0.497884 0.675787 0.822097 O\n0.925787 0.603690 0.677903 O\n0.925787 0.247884 0.322097 O\n0.853690 0.675787 0.177903 O\n0.324213 0.502116 0.177903 O\n0.396310 0.074213 0.322097 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ta",
"B",
"O"
],
"chemical_system": "B-O-Ta",
"density": 7.788023921778603,
"density_atomic": 0.11002788976937548,
"volume": 109.06325682654335,
"volume_molar": 5.473285702945626,
"formula_full": "Ta2 B2 O8",
"formula_reduced": "TaBO4",
"formula_anonymous": "ABC4",
"energy": -114.40248355,
"energy_per_atom": -9.533540295833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -108.90648355,
"band_gap": 3.1837000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010047,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:27.933000Z",
"spacegroup": 141
},
{
"id": "mp-1203015",
"created_at": "2022-09-04T14:39:16.750400Z",
"structure_string": "Ta6 Br30\n1.0\n9.780935 10.623014 0.000000\n-9.780935 10.623014 0.000000\n0.000000 0.123328 6.790833\nTa Br\n6 30\ndirect\n0.608173 0.391827 0.500000 Ta\n0.391827 0.608173 0.500000 Ta\n0.274949 0.058607 0.021065 Ta\n0.058607 0.274949 0.021065 Ta\n0.725051 0.941393 0.978935 Ta\n0.941393 0.725051 0.978935 Ta\n0.119189 0.119189 0.818164 Br\n0.880811 0.880811 0.181836 Br\n0.299744 0.928814 0.794358 Br\n0.928814 0.299744 0.794358 Br\n0.700256 0.071186 0.205642 Br\n0.071186 0.700256 0.205642 Br\n0.170109 0.973848 0.240395 Br\n0.973848 0.170109 0.240395 Br\n0.829891 0.026152 0.759605 Br\n0.026152 0.829891 0.759605 Br\n0.405006 0.033809 0.246869 Br\n0.033809 0.405006 0.246869 Br\n0.594994 0.966191 0.753131 Br\n0.966191 0.594994 0.753131 Br\n0.214223 0.214223 0.224647 Br\n0.785777 0.785777 0.775353 Br\n0.503471 0.307776 0.290112 Br\n0.307776 0.503471 0.290112 Br\n0.496529 0.692224 0.709888 Br\n0.692224 0.496529 0.709888 Br\n0.359501 0.163894 0.802511 Br\n0.163894 0.359501 0.802511 Br\n0.640499 0.836106 0.197489 Br\n0.836106 0.640499 0.197489 Br\n0.738314 0.367018 0.268748 Br\n0.367018 0.738314 0.268748 Br\n0.261686 0.632982 0.731252 Br\n0.632982 0.261686 0.731252 Br\n0.547851 0.547851 0.291827 Br\n0.452149 0.452149 0.708173 Br\n",
"nsites": 36,
"nelements": 2,
"elements": [
"Ta",
"Br"
],
"chemical_system": "Br-Ta",
"density": 4.098239815896005,
"density_atomic": 0.025510638467807562,
"volume": 1411.175970582986,
"volume_molar": 23.60638981105656,
"formula_full": "Ta6 Br30",
"formula_reduced": "TaBr5",
"formula_anonymous": "AB5",
"energy": -170.22420182000002,
"energy_per_atom": -4.728450050555556,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -154.20420182,
"band_gap": 2.0349,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014429,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:25.150000Z",
"spacegroup": 12
},
{
"id": "mp-568846",
"created_at": "2022-09-04T14:44:49.764546Z",
"structure_string": "Ta8 Br40\n1.0\n6.719891 0.000000 0.000000\n0.000000 14.076645 0.000000\n0.000000 0.000000 19.581963\nTa Br\n8 40\ndirect\n0.992520 0.125028 0.142012 Ta\n0.992520 0.125028 0.357988 Ta\n0.507480 0.625028 0.142012 Ta\n0.492520 0.374972 0.857988 Ta\n0.492520 0.374972 0.642012 Ta\n0.507480 0.625028 0.357988 Ta\n0.007480 0.874972 0.642012 Ta\n0.007480 0.874972 0.857988 Ta\n0.221677 0.731465 0.847416 Br\n0.222525 0.203526 0.436103 Br\n0.739111 0.546518 0.435457 Br\n0.702293 0.303905 0.750000 Br\n0.792369 0.018295 0.847758 Br\n0.721677 0.768535 0.347416 Br\n0.215833 0.946533 0.750000 Br\n0.202293 0.196095 0.250000 Br\n0.278323 0.231465 0.847416 Br\n0.222525 0.203526 0.063897 Br\n0.207631 0.981705 0.152242 Br\n0.239111 0.953482 0.564543 Br\n0.722525 0.296474 0.936103 Br\n0.260889 0.453482 0.564543 Br\n0.277475 0.703526 0.063897 Br\n0.722525 0.296474 0.563897 Br\n0.707631 0.518295 0.847758 Br\n0.777475 0.796474 0.936103 Br\n0.707631 0.518295 0.652242 Br\n0.739111 0.546518 0.064543 Br\n0.297707 0.696095 0.250000 Br\n0.777475 0.796474 0.563897 Br\n0.760889 0.046518 0.435457 Br\n0.797707 0.803905 0.750000 Br\n0.260889 0.453482 0.935457 Br\n0.721677 0.768535 0.152584 Br\n0.760889 0.046518 0.064543 Br\n0.292369 0.481705 0.152242 Br\n0.778323 0.268535 0.347416 Br\n0.239111 0.953482 0.935457 Br\n0.284167 0.446533 0.750000 Br\n0.715833 0.553467 0.250000 Br\n0.278323 0.231465 0.652584 Br\n0.207631 0.981705 0.347758 Br\n0.792369 0.018295 0.652242 Br\n0.292369 0.481705 0.347758 Br\n0.784167 0.053467 0.250000 Br\n0.778323 0.268535 0.152584 Br\n0.277475 0.703526 0.436103 Br\n0.221677 0.731465 0.652584 Br\n",
"nsites": 48,
"nelements": 2,
"elements": [
"Ta",
"Br"
],
"chemical_system": "Br-Ta",
"density": 4.162935338037317,
"density_atomic": 0.025913353816341213,
"volume": 1852.3268095745573,
"volume_molar": 23.23952662662438,
"formula_full": "Ta8 Br40",
"formula_reduced": "TaBr5",
"formula_anonymous": "AB5",
"energy": -226.95431794,
"energy_per_atom": -4.728214957083334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -205.59431794,
"band_gap": 1.9727,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0327721,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:42.611000Z",
"spacegroup": 62
},
{
"id": "mp-725945",
"created_at": "2022-09-04T14:43:35.863288Z",
"structure_string": "Ta4 Br20 N8\n1.0\n7.498460 0.000000 0.000000\n0.000000 7.498460 0.000000\n0.000000 0.000000 19.966445\nTa Br N\n4 20 8\ndirect\n0.500000 0.500000 0.405205 Ta\n0.000000 0.000000 0.905205 Ta\n0.500000 0.500000 0.594795 Ta\n0.000000 0.000000 0.094795 Ta\n0.780910 0.683603 0.392547 Br\n0.219090 0.316397 0.392547 Br\n0.719090 0.183603 0.892547 Br\n0.280910 0.816397 0.892547 Br\n0.683603 0.219090 0.392547 Br\n0.316397 0.780910 0.392547 Br\n0.183603 0.280910 0.892547 Br\n0.816397 0.719090 0.892547 Br\n0.219090 0.316397 0.607453 Br\n0.780910 0.683603 0.607453 Br\n0.280910 0.816397 0.107453 Br\n0.719090 0.183603 0.107453 Br\n0.316397 0.780910 0.607453 Br\n0.683603 0.219090 0.607453 Br\n0.816397 0.719090 0.107453 Br\n0.183603 0.280910 0.107453 Br\n0.500000 0.500000 0.266831 Br\n0.000000 0.000000 0.766831 Br\n0.500000 0.500000 0.733169 Br\n0.000000 0.000000 0.233169 Br\n0.500000 0.500000 0.000000 N\n0.000000 0.000000 0.500000 N\n0.000000 0.500000 0.250000 N\n0.500000 0.000000 0.750000 N\n0.500000 0.000000 0.250000 N\n0.000000 0.500000 0.750000 N\n0.500000 0.500000 0.500000 N\n0.000000 0.000000 0.000000 N\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Ta",
"Br",
"N"
],
"chemical_system": "Br-N-Ta",
"density": 3.600073819477705,
"density_atomic": 0.0285039517334407,
"volume": 1122.651353722921,
"volume_molar": 21.127388989137437,
"formula_full": "Ta4 Br20 N8",
"formula_reduced": "TaBr5N2",
"formula_anonymous": "AB2C5",
"energy": -133.54728267000002,
"energy_per_atom": -4.1733525834375005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -130.65928267,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.1779967,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:21.622000Z",
"spacegroup": 128
},
{
"id": "mp-1205358",
"created_at": "2022-09-04T14:47:11.810738Z",
"structure_string": "Ta6 B6 Ru6\n1.0\n3.218359 0.000000 0.000000\n0.000000 6.355706 0.000000\n0.000000 0.000000 10.869952\nTa B Ru\n6 6 6\ndirect\n0.000000 0.222867 0.956291 Ta\n0.000000 0.777133 0.043709 Ta\n0.000000 0.222867 0.543709 Ta\n0.000000 0.777133 0.456291 Ta\n0.000000 0.144851 0.250000 Ta\n0.000000 0.855149 0.750000 Ta\n0.500000 0.048987 0.084856 B\n0.500000 0.951013 0.915144 B\n0.500000 0.048987 0.415144 B\n0.500000 0.951013 0.584856 B\n0.000000 0.551440 0.250000 B\n0.000000 0.448560 0.750000 B\n0.500000 0.425821 0.124902 Ru\n0.500000 0.574179 0.875098 Ru\n0.500000 0.425821 0.375098 Ru\n0.500000 0.574179 0.624902 Ru\n0.500000 0.798453 0.250000 Ru\n0.500000 0.201547 0.750000 Ru\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ta",
"B",
"Ru"
],
"chemical_system": "B-Ru-Ta",
"density": 13.121646737619022,
"density_atomic": 0.08095554340566848,
"volume": 222.34425516486183,
"volume_molar": 7.438824454334195,
"formula_full": "Ta6 B6 Ru6",
"formula_reduced": "TaBRu",
"formula_anonymous": "ABC",
"energy": -177.94401985000002,
"energy_per_atom": -9.885778880555556,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -177.94401985000002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2612077,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:56.063000Z",
"spacegroup": 51
},
{
"id": "mp-1195237",
"created_at": "2022-09-04T14:45:17.595384Z",
"structure_string": "Ta12 B12 Ru12\n1.0\n3.174156 0.000000 0.000000\n0.000000 8.967695 0.000000\n0.000000 0.000000 15.607822\nTa B Ru\n12 12 12\ndirect\n0.000000 0.801475 0.495184 Ta\n0.000000 0.198525 0.504816 Ta\n0.000000 0.301475 0.004816 Ta\n0.000000 0.698525 0.995184 Ta\n0.000000 0.515969 0.594344 Ta\n0.000000 0.484031 0.405656 Ta\n0.000000 0.015969 0.905656 Ta\n0.000000 0.984031 0.094344 Ta\n0.000000 0.684911 0.203917 Ta\n0.000000 0.315089 0.796083 Ta\n0.000000 0.184911 0.296083 Ta\n0.000000 0.815089 0.703917 Ta\n0.500000 0.605173 0.496331 B\n0.500000 0.394827 0.503669 B\n0.500000 0.105173 0.003669 B\n0.500000 0.894827 0.996331 B\n0.000000 0.611519 0.832197 B\n0.000000 0.388481 0.167803 B\n0.000000 0.111519 0.667803 B\n0.000000 0.888481 0.332197 B\n0.500000 0.715953 0.599365 B\n0.500000 0.284047 0.400635 B\n0.500000 0.215953 0.900635 B\n0.500000 0.784047 0.099365 B\n0.500000 0.718948 0.356103 Ru\n0.500000 0.281052 0.643897 Ru\n0.500000 0.218948 0.143897 Ru\n0.500000 0.781052 0.856103 Ru\n0.500000 0.516146 0.095278 Ru\n0.500000 0.483854 0.904722 Ru\n0.500000 0.016146 0.404722 Ru\n0.500000 0.983854 0.595278 Ru\n0.500000 0.564842 0.734654 Ru\n0.500000 0.435158 0.265346 Ru\n0.500000 0.064842 0.765346 Ru\n0.500000 0.935158 0.234654 Ru\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Ta",
"B",
"Ru"
],
"chemical_system": "B-Ru-Ta",
"density": 13.13387414048309,
"density_atomic": 0.08103098180628192,
"volume": 444.2745132480809,
"volume_molar": 7.431899041278966,
"formula_full": "Ta12 B12 Ru12",
"formula_reduced": "TaBRu",
"formula_anonymous": "ABC",
"energy": -356.40660255,
"energy_per_atom": -9.900183404166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -356.40660255,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1002002,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:56.139000Z",
"spacegroup": 55
},
{
"id": "mp-1009817",
"created_at": "2022-09-04T14:44:50.624354Z",
"structure_string": "Ta1 C1\n1.0\n1.528699 -2.647784 0.000000\n1.528699 2.647784 0.000000\n0.000000 0.000000 2.880879\nTa C\n1 1\ndirect\n0.666667 0.333333 0.000000 Ta\n0.000000 0.000000 0.500000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ta",
"C"
],
"chemical_system": "C-Ta",
"density": 13.738953177572585,
"density_atomic": 0.08575717126337044,
"volume": 23.321664772007964,
"volume_molar": 7.022317400728263,
"formula_full": "Ta1 C1",
"formula_reduced": "TaC",
"formula_anonymous": "AB",
"energy": -21.41216495,
"energy_per_atom": -10.706082475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.41216495,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0219694,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:43.825000Z",
"spacegroup": 187
},
{
"id": "mp-1086",
"created_at": "2022-09-04T14:48:16.215884Z",
"structure_string": "Ta1 C1\n1.0\n0.000000 2.241038 2.241038\n2.241038 0.000000 2.241038\n2.241038 2.241038 0.000000\nTa C\n1 1\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ta",
"C"
],
"chemical_system": "C-Ta",
"density": 14.234280973849424,
"density_atomic": 0.08884895781419454,
"volume": 22.51011209588414,
"volume_molar": 6.777953178239646,
"formula_full": "Ta1 C1",
"formula_reduced": "TaC",
"formula_anonymous": "AB",
"energy": -22.23710222,
"energy_per_atom": -11.11855111,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.23710222,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001919,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:56.947000Z",
"spacegroup": 225
},
{
"id": "mp-1009835",
"created_at": "2022-09-04T14:39:35.021486Z",
"structure_string": "Ta1 C1\n1.0\n2.797247 0.000000 0.000000\n0.000000 2.797247 0.000000\n0.000000 0.000000 2.797247\nTa C\n1 1\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ta",
"C"
],
"chemical_system": "C-Ta",
"density": 14.639314524965723,
"density_atomic": 0.09137713671993476,
"volume": 21.88731308281059,
"volume_molar": 6.590424012143745,
"formula_full": "Ta1 C1",
"formula_reduced": "TaC",
"formula_anonymous": "AB",
"energy": -20.17197332,
"energy_per_atom": -10.08598666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.17197332,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000438,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.658000Z",
"spacegroup": 221
},
{
"id": "mp-1009832",
"created_at": "2022-09-04T14:43:01.261499Z",
"structure_string": "Ta1 C1\n1.0\n0.000000 2.419287 2.419287\n2.419287 0.000000 2.419287\n2.419287 2.419287 0.000000\nTa C\n1 1\ndirect\n0.000000 0.000000 0.000000 Ta\n0.250000 0.250000 0.250000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ta",
"C"
],
"chemical_system": "C-Ta",
"density": 11.314126260265345,
"density_atomic": 0.07062164422984082,
"volume": 28.319929701592955,
"volume_molar": 8.527330148814878,
"formula_full": "Ta1 C1",
"formula_reduced": "TaC",
"formula_anonymous": "AB",
"energy": -21.20051115,
"energy_per_atom": -10.600255575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.20051115,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006839,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:08.988000Z",
"spacegroup": 216
}
]
}