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=-is_theoretical&page=40",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_theoretical&page=38",
"results": [
{
"id": "mp-1206980",
"created_at": "2022-09-04T14:48:18.515724Z",
"structure_string": "La2 Sb3 Au1\n1.0\n10.439884 0.000000 0.000000\n0.000000 10.439884 0.000000\n0.000000 0.000000 41.974057\nLa Sb Au\n2 3 1\ndirect\n0.500000 0.500000 0.243698 La\n0.500000 0.500000 0.756302 La\n0.500000 0.500000 0.691625 Sb\n0.500000 0.500000 0.308375 Sb\n0.500000 0.500000 0.000000 Sb\n0.500000 0.500000 0.500000 Au\n",
"nsites": 6,
"nelements": 3,
"elements": [
"La",
"Sb",
"Au"
],
"chemical_system": "Au-La-Sb",
"density": 0.30491993703338294,
"density_atomic": 0.0013115321955749187,
"volume": 4574.801915076024,
"volume_molar": 459.1683513617563,
"formula_full": "La2 Sb3 Au1",
"formula_reduced": "La2Sb3Au",
"formula_anonymous": "AB2C3",
"energy": -12.98713557,
"energy_per_atom": -2.1645225949999998,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.41113557,
"band_gap": 0.1022000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.8140811,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:48.160000Z",
"spacegroup": 123
},
{
"id": "mp-1096843",
"created_at": "2022-09-04T14:48:19.282315Z",
"structure_string": "Ba1 Cu1 S2\n1.0\n4.740636 0.000000 0.000000\n0.000000 4.740636 0.000000\n0.000000 0.000000 4.379651\nBa Cu S\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.000000 S\n0.500000 0.000000 0.000000 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Cu",
"S"
],
"chemical_system": "Ba-Cu-S",
"density": 4.47081977450185,
"density_atomic": 0.04063939805050649,
"volume": 98.42665472133261,
"volume_molar": 14.818479231694589,
"formula_full": "Ba1 Cu1 S2",
"formula_reduced": "BaCuS2",
"formula_anonymous": "ABC2",
"energy": -19.47494229,
"energy_per_atom": -4.8687355725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.46894229,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.15e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:00.132000Z",
"spacegroup": 123
},
{
"id": "mp-1207259",
"created_at": "2022-09-04T14:48:19.321597Z",
"structure_string": "Tb2 Br2 O1\n1.0\n4.140125 0.000000 0.000000\n0.000000 4.140125 0.000000\n0.000000 0.000000 13.334290\nTb Br O\n2 2 1\ndirect\n0.500000 0.500000 0.155578 Tb\n0.500000 0.500000 0.844422 Tb\n0.500000 0.500000 0.646900 Br\n0.500000 0.500000 0.353100 Br\n0.500000 0.500000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tb",
"Br",
"O"
],
"chemical_system": "Br-O-Tb",
"density": 3.5865638050648445,
"density_atomic": 0.021876266272432048,
"volume": 228.55819808249828,
"volume_molar": 27.528192814095334,
"formula_full": "Tb2 Br2 O1",
"formula_reduced": "Tb2Br2O",
"formula_anonymous": "AB2C2",
"energy": -25.10578297,
"energy_per_atom": -5.021156594,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.35078297,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0023331,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:53.464000Z",
"spacegroup": 123
},
{
"id": "mp-1176078",
"created_at": "2022-09-04T14:48:19.266880Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n-2.990907 0.000000 0.000000\n-0.296623 -9.889165 0.000000\n1.376505 2.890500 9.787584\nLi Mn Co O\n9 2 5 16\ndirect\n0.059906 0.311861 0.123631 Li\n0.553922 0.804149 0.125028 Li\n0.700219 0.438458 0.381388 Li\n0.201391 0.946587 0.381313 Li\n0.309142 0.560698 0.627728 Li\n0.812845 0.068430 0.619452 Li\n0.931904 0.686905 0.872900 Li\n0.433647 0.190949 0.872831 Li\n0.238194 0.241657 0.501746 Li\n0.007942 0.000987 0.997668 Mn\n0.635612 0.129585 0.258470 Mn\n0.495486 0.499608 0.997007 Co\n0.126089 0.622458 0.250736 Co\n0.749594 0.751595 0.500815 Co\n0.866625 0.370050 0.740834 Co\n0.369323 0.875518 0.747898 Co\n0.578353 0.149023 0.066770 O\n0.030646 0.651654 0.068921 O\n0.144596 0.262030 0.306571 O\n0.651425 0.771727 0.318039 O\n0.793195 0.408520 0.584550 O\n0.271843 0.897303 0.568135 O\n0.441231 0.523507 0.818536 O\n0.938043 0.019811 0.812257 O\n0.595247 0.473043 0.178691 O\n0.117213 0.989475 0.189051 O\n0.218438 0.595661 0.431263 O\n0.708280 0.093506 0.424753 O\n0.798061 0.728220 0.682513 O\n0.317645 0.233677 0.694748 O\n0.434825 0.850292 0.930286 O\n0.969116 0.353056 0.925470 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.147154739255598,
"density_atomic": 0.11053808684353487,
"volume": 289.4929785178529,
"volume_molar": 5.4480233302067695,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -207.77274474,
"energy_per_atom": -6.492898273125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -185.25474474,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.3044701,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:56.448000Z",
"spacegroup": 1
},
{
"id": "mp-760363",
"created_at": "2022-09-04T14:48:19.323232Z",
"structure_string": "Li4 Fe8 O4 F12\n1.0\n6.229806 0.000000 0.000000\n-0.021561 6.278003 0.000000\n-0.006014 -0.159006 8.625197\nLi Fe O F\n4 8 4 12\ndirect\n0.752033 0.992996 0.982296 Li\n0.268917 0.989075 0.505557 Li\n0.498354 0.253545 0.748415 Li\n0.000660 0.259365 0.746270 Li\n0.005941 0.750614 0.236163 Fe\n0.506683 0.745557 0.272039 Fe\n0.730730 0.760330 0.638541 Fe\n0.213720 0.775846 0.872514 Fe\n0.753060 0.505863 0.999471 Fe\n0.262313 0.507301 0.509579 Fe\n0.747318 0.287529 0.370012 Fe\n0.243995 0.178645 0.121232 Fe\n0.261699 0.946639 0.258795 O\n0.475495 0.734339 0.515597 O\n0.960930 0.751529 0.994197 O\n0.754484 0.540129 0.245808 O\n0.761230 0.008281 0.247945 F\n0.510944 0.759278 0.985910 F\n0.014212 0.753158 0.509526 F\n0.253051 0.477745 0.239495 F\n0.746760 0.468225 0.750998 F\n0.247561 0.477891 0.756222 F\n0.027413 0.273700 0.504373 F\n0.982089 0.239778 0.989406 F\n0.522683 0.246223 0.992395 F\n0.489389 0.240846 0.508822 F\n0.758971 0.036377 0.751654 F\n0.249365 0.039195 0.746770 F\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 3.773093552404343,
"density_atomic": 0.08300284273045183,
"volume": 337.3378438486595,
"volume_molar": 7.255342783326884,
"formula_full": "Li4 Fe8 O4 F12",
"formula_reduced": "LiFe2OF3",
"formula_anonymous": "ABC2D3",
"energy": -184.0464785,
"energy_per_atom": -6.573088517857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -157.7064785,
"band_gap": 2.0239000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 31.9999483,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:57.817000Z",
"spacegroup": 1
},
{
"id": "mp-1206824",
"created_at": "2022-09-04T14:48:19.344669Z",
"structure_string": "Np1 Ga5 Fe1\n1.0\n4.333086 0.000000 0.000000\n0.000000 4.333086 0.000000\n0.000000 0.000000 6.662140\nNp Ga Fe\n1 5 1\ndirect\n0.000000 0.000000 0.000000 Np\n0.000000 0.500000 0.307937 Ga\n0.000000 0.500000 0.692063 Ga\n0.500000 0.000000 0.307937 Ga\n0.500000 0.000000 0.692063 Ga\n0.500000 0.500000 0.000000 Ga\n0.000000 0.000000 0.500000 Fe\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Np",
"Ga",
"Fe"
],
"chemical_system": "Fe-Ga-Np",
"density": 8.515502978558711,
"density_atomic": 0.05596154135528503,
"volume": 125.08590418478381,
"volume_molar": 10.76121317275202,
"formula_full": "Np1 Ga5 Fe1",
"formula_reduced": "NpGa5Fe",
"formula_anonymous": "ABC5",
"energy": -37.57622955,
"energy_per_atom": -5.368032792857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.57622955,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.2268336,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:49.474000Z",
"spacegroup": 123
},
{
"id": "mp-1028094",
"created_at": "2022-09-04T14:48:19.345693Z",
"structure_string": "Y1 Mg14 Fe1\n1.0\n6.396171 -0.000000 -0.000000\n-3.198085 5.539246 -0.000000\n0.000000 -0.000000 10.210447\nY Mg Fe\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Y\n0.178160 0.839080 0.125000 Mg\n0.162170 0.831084 0.625000 Mg\n0.660920 0.321840 0.125000 Mg\n0.668916 0.337830 0.625000 Mg\n0.660920 0.839080 0.125000 Mg\n0.668916 0.831084 0.625000 Mg\n0.329023 0.170977 0.389329 Mg\n0.329023 0.170977 0.860671 Mg\n0.329023 0.658047 0.389329 Mg\n0.329023 0.658047 0.860671 Mg\n0.841953 0.170977 0.389329 Mg\n0.841953 0.170977 0.860671 Mg\n0.833333 0.666667 0.367599 Mg\n0.833333 0.666667 0.882401 Mg\n0.166667 0.333333 0.625000 Fe\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Y",
"Mg",
"Fe"
],
"chemical_system": "Fe-Mg-Y",
"density": 2.2263530339850193,
"density_atomic": 0.044228734024095384,
"volume": 361.75577603653215,
"volume_molar": 13.615901275218945,
"formula_full": "Y1 Mg14 Fe1",
"formula_reduced": "YMg14Fe",
"formula_anonymous": "ABC14",
"energy": -35.92786173,
"energy_per_atom": -2.245491358125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.92786173,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.159687,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:52.624000Z",
"spacegroup": 187
},
{
"id": "mp-1094732",
"created_at": "2022-09-04T14:48:19.350880Z",
"structure_string": "Ce4 Mg2\n1.0\n1.618495 -8.606319 0.000000\n1.618495 8.606319 0.000000\n0.000000 0.000000 5.725510\nCe Mg\n4 2\ndirect\n0.002525 0.997475 0.000000 Ce\n0.323075 0.676925 0.000000 Ce\n0.664800 0.335200 0.000000 Ce\n0.451609 0.548391 0.500000 Ce\n0.118594 0.881406 0.500000 Mg\n0.772730 0.227270 0.500000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ce",
"Mg"
],
"chemical_system": "Ce-Mg",
"density": 6.340831077110636,
"density_atomic": 0.037616490569230054,
"volume": 159.50451276036753,
"volume_molar": 16.009310461635824,
"formula_full": "Ce4 Mg2",
"formula_reduced": "Ce2Mg",
"formula_anonymous": "AB2",
"energy": -26.58762406,
"energy_per_atom": -4.431270676666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.58762406,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.8935118,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:05.567000Z",
"spacegroup": 38
},
{
"id": "mp-1217552",
"created_at": "2022-09-04T14:48:19.374652Z",
"structure_string": "Ti16 Cr6 B16 Ru36\n1.0\n12.445285 -12.481803 0.000000\n12.445285 12.481803 0.000000\n0.000000 0.000000 2.974876\nTi Cr B Ru\n16 6 16 36\ndirect\n0.698180 0.301820 0.000000 Ti\n0.301820 0.698180 0.000000 Ti\n0.197634 0.197634 0.000000 Ti\n0.802366 0.802366 0.000000 Ti\n0.465398 0.186351 0.000000 Ti\n0.534602 0.813649 0.000000 Ti\n0.964612 0.312554 0.000000 Ti\n0.035388 0.687446 0.000000 Ti\n0.687446 0.035388 0.000000 Ti\n0.312554 0.964612 0.000000 Ti\n0.813649 0.534602 0.000000 Ti\n0.186351 0.465398 0.000000 Ti\n0.828730 0.171270 0.000000 Ti\n0.171270 0.828730 0.000000 Ti\n0.500000 0.000000 0.000000 Ti\n0.000000 0.500000 0.000000 Ti\n0.453624 0.453624 0.000000 Cr\n0.546376 0.546376 0.000000 Cr\n0.953833 0.046167 0.000000 Cr\n0.046167 0.953833 0.000000 Cr\n0.328069 0.328069 0.000000 Cr\n0.671931 0.671931 0.000000 Cr\n0.537070 0.335194 0.000000 B\n0.462930 0.664806 0.000000 B\n0.037298 0.165161 0.000000 B\n0.962702 0.834839 0.000000 B\n0.834839 0.962702 0.000000 B\n0.165161 0.037298 0.000000 B\n0.664806 0.462930 0.000000 B\n0.335194 0.537070 0.000000 B\n0.621637 0.169975 0.000000 B\n0.378363 0.830025 0.000000 B\n0.121427 0.330185 0.000000 B\n0.878573 0.669815 0.000000 B\n0.669815 0.878573 0.000000 B\n0.330185 0.121427 0.000000 B\n0.830025 0.378363 0.000000 B\n0.169975 0.621637 0.000000 B\n0.446798 0.332165 0.500000 Ru\n0.553202 0.667835 0.500000 Ru\n0.949333 0.168844 0.500000 Ru\n0.050667 0.831156 0.500000 Ru\n0.831156 0.050667 0.500000 Ru\n0.168844 0.949333 0.500000 Ru\n0.667835 0.553202 0.500000 Ru\n0.332165 0.446798 0.500000 Ru\n0.569462 0.098027 0.500000 Ru\n0.430538 0.901973 0.500000 Ru\n0.070467 0.401578 0.500000 Ru\n0.929533 0.598422 0.500000 Ru\n0.598422 0.929533 0.500000 Ru\n0.401578 0.070467 0.500000 Ru\n0.901973 0.430538 0.500000 Ru\n0.098027 0.569462 0.500000 Ru\n0.580208 0.254932 0.500000 Ru\n0.419792 0.745068 0.500000 Ru\n0.082922 0.245984 0.500000 Ru\n0.917078 0.754016 0.500000 Ru\n0.754016 0.917078 0.500000 Ru\n0.245984 0.082922 0.500000 Ru\n0.745068 0.419792 0.500000 Ru\n0.254932 0.580208 0.500000 Ru\n0.711018 0.167288 0.500000 Ru\n0.288982 0.832712 0.500000 Ru\n0.214249 0.333316 0.500000 Ru\n0.785751 0.666684 0.500000 Ru\n0.666684 0.785751 0.500000 Ru\n0.333316 0.214249 0.500000 Ru\n0.832712 0.288982 0.500000 Ru\n0.167288 0.711018 0.500000 Ru\n0.581908 0.418092 0.500000 Ru\n0.418092 0.581908 0.500000 Ru\n0.083071 0.083071 0.500000 Ru\n0.916929 0.916929 0.500000 Ru\n",
"nsites": 74,
"nelements": 4,
"elements": [
"Ti",
"Cr",
"B",
"Ru"
],
"chemical_system": "B-Cr-Ru-Ti",
"density": 8.784533650003683,
"density_atomic": 0.08006647076067155,
"volume": 924.2320698909663,
"volume_molar": 7.521426513229131,
"formula_full": "Ti16 Cr6 B16 Ru36",
"formula_reduced": "Ti8Cr3(B4Ru9)2",
"formula_anonymous": "A3B8C8D18",
"energy": -663.86778251,
"energy_per_atom": -8.971186250135135,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -663.86778251,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.4392546,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:54.249000Z",
"spacegroup": 65
},
{
"id": "mp-1523088",
"created_at": "2022-09-04T14:48:19.474764Z",
"structure_string": "Ba1 Ca1 Eu1 Bi1 O6\n1.0\n0.000000 -4.318907 -4.318907\n4.318907 0.000000 -4.318907\n4.318907 -4.318907 -0.000000\nBa Ca Eu Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Ca\n0.750000 0.750000 0.750000 Eu\n-0.000000 -0.000000 -0.000000 Bi\n0.758011 0.241989 0.241989 O\n0.241989 0.758011 0.758011 O\n0.758011 0.241989 0.758011 O\n0.241989 0.758011 0.241989 O\n0.758011 0.758011 0.241989 O\n0.241989 0.241989 0.758011 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Ca",
"Eu",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-Ca-Eu-O",
"density": 6.537679308285063,
"density_atomic": 0.06206524115370165,
"volume": 161.12077894349062,
"volume_molar": 9.702920101585446,
"formula_full": "Ba1 Ca1 Eu1 Bi1 O6",
"formula_reduced": "BaCaEuBiO6",
"formula_anonymous": "ABCDE6",
"energy": -72.07350592,
"energy_per_atom": -7.207350592,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.95150592,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9999998,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:55.876000Z",
"spacegroup": 216
},
{
"id": "mp-1216437",
"created_at": "2022-09-04T14:48:19.477258Z",
"structure_string": "V6 Ge1 Os1\n1.0\n4.774668 0.000000 0.000000\n0.000000 4.774668 0.000000\n0.000000 0.000000 4.774668\nV Ge Os\n6 1 1\ndirect\n0.000000 0.500000 0.748419 V\n0.500000 0.251581 0.000000 V\n0.748419 0.000000 0.500000 V\n0.000000 0.500000 0.251581 V\n0.500000 0.748419 0.000000 V\n0.251581 0.000000 0.500000 V\n0.000000 0.000000 0.000000 Ge\n0.500000 0.500000 0.500000 Os\n",
"nsites": 8,
"nelements": 3,
"elements": [
"V",
"Ge",
"Os"
],
"chemical_system": "Ge-Os-V",
"density": 8.672904099897657,
"density_atomic": 0.0734954494827637,
"volume": 108.85027653142221,
"volume_molar": 8.193896087964363,
"formula_full": "V6 Ge1 Os1",
"formula_reduced": "V6GeOs",
"formula_anonymous": "ABC6",
"energy": -72.98079378,
"energy_per_atom": -9.1225992225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.98079378,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008296,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:49.881000Z",
"spacegroup": 200
},
{
"id": "mp-865990",
"created_at": "2022-09-04T14:48:20.010616Z",
"structure_string": "Y3 Al7 Cu2\n1.0\n8.639213 -2.751033 0.000000\n8.639213 2.751033 0.000000\n7.763186 0.000000 4.683709\nY Al Cu\n3 7 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.858137 0.858137 0.858137 Y\n0.141863 0.141863 0.141863 Y\n0.418359 0.418359 0.927325 Al\n0.927325 0.418359 0.418359 Al\n0.418359 0.927325 0.418359 Al\n0.500000 0.500000 0.500000 Al\n0.581641 0.072675 0.581641 Al\n0.072675 0.581641 0.581641 Al\n0.581641 0.581641 0.072675 Al\n0.664777 0.664777 0.664777 Cu\n0.335223 0.335223 0.335223 Cu\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Y",
"Al",
"Cu"
],
"chemical_system": "Al-Cu-Y",
"density": 4.345998438280355,
"density_atomic": 0.05390032257439341,
"volume": 222.6331759598945,
"volume_molar": 11.17273602896944,
"formula_full": "Y3 Al7 Cu2",
"formula_reduced": "Y3Al7Cu2",
"formula_anonymous": "A2B3C7",
"energy": -59.86549384,
"energy_per_atom": -4.988791153333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -59.86549384,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00506,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:58.905000Z",
"spacegroup": 166
}
]
}