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=90",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=band_gap&page=88",
"results": [
{
"id": "mp-1038357",
"created_at": "2022-09-04T14:39:09.155983Z",
"structure_string": "Hf1 Mg30 Bi1 O32\n1.0\n8.702463 0.000000 0.000000\n0.000000 8.702463 0.000000\n0.000000 0.000000 8.725339\nHf Mg Bi O\n1 30 1 32\ndirect\n0.000000 0.000000 0.500000 Hf\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.260160 0.243821 Mg\n0.000000 0.260160 0.756179 Mg\n0.000000 0.739840 0.243821 Mg\n0.000000 0.739840 0.756179 Mg\n0.500000 0.252112 0.248576 Mg\n0.500000 0.252112 0.751424 Mg\n0.500000 0.747888 0.248576 Mg\n0.500000 0.747888 0.751424 Mg\n0.260160 0.000000 0.243821 Mg\n0.260160 0.000000 0.756179 Mg\n0.252112 0.500000 0.248576 Mg\n0.252112 0.500000 0.751424 Mg\n0.739840 0.000000 0.243821 Mg\n0.739840 0.000000 0.756179 Mg\n0.747888 0.500000 0.248576 Mg\n0.747888 0.500000 0.751424 Mg\n0.253624 0.253624 0.000000 Mg\n0.256870 0.256870 0.500000 Mg\n0.253624 0.746376 0.000000 Mg\n0.256870 0.743130 0.500000 Mg\n0.746376 0.253624 0.000000 Mg\n0.743130 0.256870 0.500000 Mg\n0.746376 0.746376 0.000000 Mg\n0.743130 0.743130 0.500000 Mg\n0.000000 0.000000 0.000000 Bi\n0.285311 0.000000 0.000000 O\n0.246666 0.000000 0.500000 O\n0.256698 0.500000 0.000000 O\n0.250311 0.500000 0.500000 O\n0.714689 0.000000 0.000000 O\n0.753334 0.000000 0.500000 O\n0.743302 0.500000 0.000000 O\n0.749689 0.500000 0.500000 O\n0.250376 0.250376 0.252795 O\n0.250376 0.250376 0.747205 O\n0.250376 0.749624 0.252795 O\n0.250376 0.749624 0.747205 O\n0.749624 0.250376 0.252795 O\n0.749624 0.250376 0.747205 O\n0.749624 0.749624 0.252795 O\n0.749624 0.749624 0.747205 O\n0.000000 0.000000 0.274193 O\n0.000000 0.000000 0.725807 O\n0.000000 0.500000 0.259713 O\n0.000000 0.500000 0.740287 O\n0.500000 0.000000 0.259713 O\n0.500000 0.000000 0.740287 O\n0.500000 0.500000 0.253258 O\n0.500000 0.500000 0.746742 O\n0.000000 0.285311 0.000000 O\n0.000000 0.246666 0.500000 O\n0.000000 0.714689 0.000000 O\n0.000000 0.753334 0.500000 O\n0.500000 0.256698 0.000000 O\n0.500000 0.250311 0.500000 O\n0.500000 0.743302 0.000000 O\n0.500000 0.749689 0.500000 O\n",
"nsites": 64,
"nelements": 4,
"elements": [
"Hf",
"Mg",
"Bi",
"O"
],
"chemical_system": "Bi-Hf-Mg-O",
"density": 4.092579906349627,
"density_atomic": 0.09685304822755521,
"volume": 660.7948967143778,
"volume_molar": 6.217812314849445,
"formula_full": "Hf1 Mg30 Bi1 O32",
"formula_reduced": "HfMg30BiO32",
"formula_anonymous": "ABC30D32",
"energy": -403.76768591,
"energy_per_atom": -6.30887009234375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -381.78368591,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.4782829,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.582000Z",
"spacegroup": 123
},
{
"id": "mp-640054",
"created_at": "2022-09-04T14:39:07.601121Z",
"structure_string": "Nd6 In22 Pt13\n1.0\n2.251490 14.342920 0.000000\n-2.251490 14.342920 0.000000\n0.000000 5.768927 13.999434\nNd In Pt\n6 22 13\ndirect\n0.453612 0.453612 0.698809 Nd\n0.837221 0.837221 0.530042 Nd\n0.546388 0.546388 0.301191 Nd\n0.162779 0.162779 0.469958 Nd\n0.821756 0.821756 0.080065 Nd\n0.178244 0.178244 0.919935 Nd\n0.326059 0.326059 0.719690 In\n0.875913 0.875913 0.831063 In\n0.673941 0.673941 0.280310 In\n0.435342 0.435342 0.502404 In\n0.857404 0.857404 0.281919 In\n0.727973 0.727973 0.751724 In\n0.237413 0.237413 0.083813 In\n0.408283 0.408283 0.952524 In\n0.055522 0.055522 0.936244 In\n0.956907 0.956907 0.339734 In\n0.762587 0.762587 0.916187 In\n0.712801 0.712801 0.565298 In\n0.564658 0.564658 0.497596 In\n0.287199 0.287199 0.434702 In\n0.272027 0.272027 0.248276 In\n0.944478 0.944478 0.063756 In\n0.591717 0.591717 0.047476 In\n0.529487 0.529487 0.820980 In\n0.124087 0.124087 0.168937 In\n0.470513 0.470513 0.179020 In\n0.142596 0.142596 0.718081 In\n0.043093 0.043093 0.660266 In\n0.619300 0.619300 0.848514 Pt\n0.901098 0.901098 0.635713 Pt\n0.032793 0.032793 0.139149 Pt\n0.392714 0.392714 0.362952 Pt\n0.098902 0.098902 0.364287 Pt\n0.251659 0.251659 0.636158 Pt\n0.000000 0.000000 0.500000 Pt\n0.320549 0.320549 0.912073 Pt\n0.679451 0.679451 0.087927 Pt\n0.380700 0.380700 0.151486 Pt\n0.967207 0.967207 0.860851 Pt\n0.748341 0.748341 0.363842 Pt\n0.607286 0.607286 0.637048 Pt\n",
"nsites": 41,
"nelements": 3,
"elements": [
"Nd",
"In",
"Pt"
],
"chemical_system": "In-Nd-Pt",
"density": 10.886180207950371,
"density_atomic": 0.045345666035488674,
"volume": 904.1657910132438,
"volume_molar": 13.280521131362189,
"formula_full": "Nd6 In22 Pt13",
"formula_reduced": "Nd6In22Pt13",
"formula_anonymous": "A6B13C22",
"energy": -194.76849715,
"energy_per_atom": -4.75045115,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -194.76849715,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002122,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:39.788000Z",
"spacegroup": 12
},
{
"id": "mp-1206840",
"created_at": "2022-09-04T14:39:06.184720Z",
"structure_string": "Sr2 Rh2 O6\n1.0\n-2.791177 2.791177 4.061045\n2.791177 -2.791177 4.061045\n2.791177 2.791177 -4.061045\nSr Rh O\n2 2 6\ndirect\n0.750000 0.250000 0.500000 Sr\n0.250000 0.750000 0.500000 Sr\n0.000000 0.000000 0.000000 Rh\n0.500000 0.500000 0.000000 Rh\n0.687982 0.187982 0.875965 O\n0.312018 0.812018 0.124035 O\n0.187982 0.312018 0.500000 O\n0.812018 0.687982 0.500000 O\n0.250000 0.250000 0.000000 O\n0.750000 0.750000 0.000000 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sr",
"Rh",
"O"
],
"chemical_system": "O-Rh-Sr",
"density": 6.259477489298199,
"density_atomic": 0.07901825801300225,
"volume": 126.55303029275241,
"volume_molar": 7.6212016202749915,
"formula_full": "Sr2 Rh2 O6",
"formula_reduced": "SrRhO3",
"formula_anonymous": "ABC3",
"energy": -67.71267952,
"energy_per_atom": -6.771267952,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.59067952,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.00204,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.908000Z",
"spacegroup": 140
},
{
"id": "mp-1222856",
"created_at": "2022-09-04T14:39:09.720579Z",
"structure_string": "La2 Ge4 Pd2 Rh2\n1.0\n4.325229 0.000000 0.000000\n0.000000 4.325229 0.000000\n0.000000 0.000000 10.364073\nLa Ge Pd Rh\n2 4 2 2\ndirect\n0.000000 0.500000 0.253380 La\n0.500000 0.000000 0.746620 La\n0.000000 0.000000 0.500000 Ge\n0.500000 0.500000 0.500000 Ge\n0.000000 0.500000 0.876069 Ge\n0.500000 0.000000 0.123931 Ge\n0.000000 0.500000 0.632794 Pd\n0.500000 0.000000 0.367206 Pd\n0.000000 0.000000 0.000000 Rh\n0.500000 0.500000 0.000000 Rh\n",
"nsites": 10,
"nelements": 4,
"elements": [
"La",
"Ge",
"Pd",
"Rh"
],
"chemical_system": "Ge-La-Pd-Rh",
"density": 8.453318418491696,
"density_atomic": 0.05157643549732033,
"volume": 193.88699322812943,
"volume_molar": 11.676147647529621,
"formula_full": "La2 Ge4 Pd2 Rh2",
"formula_reduced": "LaGe2PdRh",
"formula_anonymous": "ABCD2",
"energy": -62.43126529,
"energy_per_atom": -6.2431265289999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -62.43126529,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007755,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.588000Z",
"spacegroup": 129
},
{
"id": "mp-937920",
"created_at": "2022-09-04T14:39:07.611282Z",
"structure_string": "In4 Sb1 Te3\n1.0\n6.233387 4.419059 0.000000\n-6.233387 4.419059 0.000000\n0.000000 4.375959 4.418769\nIn Sb Te\n4 1 3\ndirect\n0.004085 0.004085 0.998571 In\n0.496178 0.496178 0.008249 In\n0.249130 0.753339 0.502642 In\n0.753339 0.249130 0.502642 In\n0.999182 0.999182 0.503508 Sb\n0.751513 0.254783 0.994086 Te\n0.254783 0.751513 0.994086 Te\n0.504944 0.504944 0.498525 Te\n",
"nsites": 8,
"nelements": 3,
"elements": [
"In",
"Sb",
"Te"
],
"chemical_system": "In-Sb-Te",
"density": 6.574538206093196,
"density_atomic": 0.032862818020379936,
"volume": 243.43621399232367,
"volume_molar": 18.325089334290684,
"formula_full": "In4 Sb1 Te3",
"formula_reduced": "In4SbTe3",
"formula_anonymous": "AB3C4",
"energy": -27.84068225,
"energy_per_atom": -3.48008528125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.38268225,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0033451,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:28.306000Z",
"spacegroup": 139
},
{
"id": "mp-637918",
"created_at": "2022-09-04T14:39:09.213152Z",
"structure_string": "Cr6 Ge2 N2\n1.0\n5.330989 0.000000 0.000000\n0.000000 5.330989 0.000000\n0.000000 0.000000 4.010243\nCr Ge N\n6 2 2\ndirect\n0.208418 0.708418 0.922303 Cr\n0.791582 0.291582 0.922303 Cr\n0.500000 0.500000 0.500000 Cr\n0.291582 0.208418 0.077697 Cr\n0.708418 0.791582 0.077697 Cr\n0.000000 0.000000 0.500000 Cr\n0.000000 0.500000 0.445545 Ge\n0.500000 0.000000 0.554455 Ge\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.000000 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cr",
"Ge",
"N"
],
"chemical_system": "Cr-Ge-N",
"density": 7.070437355734573,
"density_atomic": 0.08774325428258546,
"volume": 113.9688752344887,
"volume_molar": 6.863366089209691,
"formula_full": "Cr6 Ge2 N2",
"formula_reduced": "Cr3GeN",
"formula_anonymous": "ABC3",
"energy": -87.00403593000001,
"energy_per_atom": -8.700403593,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -86.28203593,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0487519,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:41.923000Z",
"spacegroup": 113
},
{
"id": "mp-1022634",
"created_at": "2022-09-04T14:39:09.180364Z",
"structure_string": "Y2 Mg12 Bi2\n1.0\n5.156460 0.000000 0.000000\n0.000000 6.829206 0.000000\n0.000000 0.000000 11.458226\nY Mg Bi\n2 12 2\ndirect\n0.000000 0.500000 0.331953 Y\n0.000000 0.000000 0.831953 Y\n0.000000 0.237665 0.079558 Mg\n0.000000 0.762335 0.079558 Mg\n0.000000 0.500000 0.836018 Mg\n0.500000 0.262834 0.919698 Mg\n0.500000 0.737166 0.919698 Mg\n0.500000 0.500000 0.668655 Mg\n0.000000 0.737665 0.579558 Mg\n0.000000 0.262335 0.579558 Mg\n0.000000 0.000000 0.336018 Mg\n0.500000 0.762834 0.419698 Mg\n0.500000 0.237166 0.419698 Mg\n0.500000 0.000000 0.168655 Mg\n0.500000 0.500000 0.164864 Bi\n0.500000 0.000000 0.664864 Bi\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Y",
"Mg",
"Bi"
],
"chemical_system": "Bi-Mg-Y",
"density": 3.6521211586187103,
"density_atomic": 0.03965342751792693,
"volume": 403.496015388999,
"volume_molar": 15.186936254822989,
"formula_full": "Y2 Mg12 Bi2",
"formula_reduced": "YMg6Bi",
"formula_anonymous": "ABC6",
"energy": -41.27552402,
"energy_per_atom": -2.57972025125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.27552402,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022184,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.661000Z",
"spacegroup": 38
},
{
"id": "mp-998969",
"created_at": "2022-09-04T14:39:06.246651Z",
"structure_string": "Ti2 H2\n1.0\n1.438791 -2.492058 0.000000\n1.438791 2.492058 0.000000\n0.000000 0.000000 5.263294\nTi H\n2 2\ndirect\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.333333 0.666667 0.250000 H\n0.666667 0.333333 0.750000 H\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"H"
],
"chemical_system": "H-Ti",
"density": 4.300528662991119,
"density_atomic": 0.10597819234109361,
"volume": 37.74361414965349,
"volume_molar": 5.682433930008526,
"formula_full": "Ti2 H2",
"formula_reduced": "TiH",
"formula_anonymous": "AB",
"energy": -23.47420761,
"energy_per_atom": -5.8685519025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.11620761,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010692,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.223000Z",
"spacegroup": 194
},
{
"id": "mp-1216530",
"created_at": "2022-09-04T14:39:07.615734Z",
"structure_string": "Tl1 Pb1\n1.0\n5.880337 -1.780324 0.000000\n5.880337 1.780324 0.000000\n5.341328 0.000000 3.036138\nTl Pb\n1 1\ndirect\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tl",
"Pb"
],
"chemical_system": "Pb-Tl",
"density": 10.751129096830251,
"density_atomic": 0.03146134100796503,
"volume": 63.57008111935415,
"volume_molar": 19.141398831268454,
"formula_full": "Tl1 Pb1",
"formula_reduced": "TlPb",
"formula_anonymous": "AB",
"energy": -6.08289193,
"energy_per_atom": -3.041445965,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.08289193,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0032192,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.826000Z",
"spacegroup": 166
},
{
"id": "mp-12386",
"created_at": "2022-09-04T14:39:09.207898Z",
"structure_string": "Er2 Si6 Ni2\n1.0\n1.961012 -10.489838 0.000000\n1.961012 10.489838 0.000000\n0.000000 0.000000 3.924526\nEr Si Ni\n2 6 2\ndirect\n0.668846 0.331154 0.500000 Er\n0.331154 0.668846 0.500000 Er\n0.556198 0.443802 0.000000 Si\n0.443802 0.556198 0.000000 Si\n0.781934 0.218066 0.000000 Si\n0.218066 0.781934 0.000000 Si\n0.056133 0.943867 0.500000 Si\n0.943867 0.056133 0.500000 Si\n0.889183 0.110817 0.000000 Ni\n0.110817 0.889183 0.000000 Ni\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Er",
"Si",
"Ni"
],
"chemical_system": "Er-Ni-Si",
"density": 6.38068210673432,
"density_atomic": 0.061934660489828645,
"volume": 161.46047981714975,
"volume_molar": 9.723377366360149,
"formula_full": "Er2 Si6 Ni2",
"formula_reduced": "ErSi3Ni",
"formula_anonymous": "ABC3",
"energy": -59.64020074,
"energy_per_atom": -5.964020074,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -60.06620074,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011108,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:37.191000Z",
"spacegroup": 65
},
{
"id": "mp-30893",
"created_at": "2022-09-04T14:39:06.856592Z",
"structure_string": "Sr8 Bi6\n1.0\n-5.112441 5.112441 5.112441\n5.112441 -5.112441 5.112441\n5.112441 5.112441 -5.112441\nSr Bi\n8 6\ndirect\n0.500000 0.000000 0.645601 Sr\n0.145601 0.500000 0.000000 Sr\n0.354399 0.354399 0.354399 Sr\n0.000000 0.145601 0.500000 Sr\n0.854399 0.854399 0.854399 Sr\n0.000000 0.645601 0.500000 Sr\n0.500000 0.000000 0.145601 Sr\n0.645601 0.500000 0.000000 Sr\n0.875000 0.250000 0.125000 Bi\n0.125000 0.875000 0.250000 Bi\n0.375000 0.625000 0.750000 Bi\n0.250000 0.125000 0.875000 Bi\n0.750000 0.375000 0.625000 Bi\n0.625000 0.750000 0.375000 Bi\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Sr",
"Bi"
],
"chemical_system": "Bi-Sr",
"density": 6.073176866625354,
"density_atomic": 0.0261928717882146,
"volume": 534.4965650654334,
"volume_molar": 22.991525361146703,
"formula_full": "Sr8 Bi6",
"formula_reduced": "Sr4Bi3",
"formula_anonymous": "A3B4",
"energy": -49.1369135,
"energy_per_atom": -3.509779535714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.1369135,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0552367,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:30.544000Z",
"spacegroup": 220
},
{
"id": "mp-675066",
"created_at": "2022-09-04T14:39:18.507334Z",
"structure_string": "Nb6 Ir2 Se16\n1.0\n3.478596 6.036141 0.000000\n-3.478596 6.036141 0.000000\n0.000000 5.777231 14.093838\nNb Ir Se\n6 2 16\ndirect\n0.018780 0.753702 0.000079 Nb\n0.753702 0.018780 0.500079 Nb\n0.029965 0.215716 0.997842 Nb\n0.492367 0.286475 0.002331 Nb\n0.286475 0.492367 0.502331 Nb\n0.215716 0.029965 0.497842 Nb\n0.751755 0.450368 0.499652 Ir\n0.450368 0.751755 0.999652 Ir\n0.217119 0.982198 0.868655 Se\n0.549322 0.756584 0.598760 Se\n0.238467 0.475532 0.880830 Se\n0.725798 0.488863 0.884704 Se\n0.954532 0.697447 0.400562 Se\n0.525282 0.258918 0.630553 Se\n0.697447 0.954532 0.900562 Se\n0.982198 0.217119 0.368655 Se\n0.258918 0.525282 0.130553 Se\n0.018407 0.297022 0.614920 Se\n0.031062 0.790797 0.619326 Se\n0.297022 0.018407 0.114920 Se\n0.475532 0.238467 0.380830 Se\n0.488863 0.725798 0.384704 Se\n0.790797 0.031062 0.119326 Se\n0.756584 0.549322 0.098760 Se\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Nb",
"Ir",
"Se"
],
"chemical_system": "Ir-Nb-Se",
"density": 6.187009719985805,
"density_atomic": 0.04054978926405191,
"volume": 591.8649747774748,
"volume_molar": 14.851225787599178,
"formula_full": "Nb6 Ir2 Se16",
"formula_reduced": "Nb3IrSe8",
"formula_anonymous": "AB3C8",
"energy": -158.70858988,
"energy_per_atom": -6.612857911666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -151.15658988,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0033788,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.759000Z",
"spacegroup": 9
}
]
}