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_anonymous&page=54",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=52",
"results": [
{
"id": "mp-1517573",
"created_at": "2022-09-04T14:42:09.389695Z",
"structure_string": "K1 La1 Fe1 Bi1 O6\n1.0\n0.000000 -4.096336 -4.096336\n4.096336 0.000000 -4.096336\n4.096336 -4.096336 0.000000\nK La Fe Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 La\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Bi\n0.743888 0.256112 0.256112 O\n0.256112 0.743888 0.743888 O\n0.743888 0.256112 0.743888 O\n0.256112 0.743888 0.256112 O\n0.743888 0.743888 0.256112 O\n0.256112 0.256112 0.743888 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"La",
"Fe",
"Bi",
"O"
],
"chemical_system": "Bi-Fe-K-La-O",
"density": 6.50849509869607,
"density_atomic": 0.07274167340214165,
"volume": 137.47277911406397,
"volume_molar": 8.278804264932813,
"formula_full": "K1 La1 Fe1 Bi1 O6",
"formula_reduced": "KLaFeBiO6",
"formula_anonymous": "ABCDE6",
"energy": -68.58688672,
"energy_per_atom": -6.8586886719999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -62.20888672,
"band_gap": 0.3613999999999997,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 5.0000005,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:41.397000Z",
"spacegroup": 216
},
{
"id": "mp-1519728",
"created_at": "2022-09-04T14:41:51.206085Z",
"structure_string": "K1 Sr1 Pr1 W1 O6\n1.0\n0.000000 -4.298987 -4.298987\n4.298987 -0.000000 -4.298987\n4.298987 -4.298987 0.000000\nK Sr Pr W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 W\n0.727129 0.272871 0.272871 O\n0.272871 0.727129 0.727129 O\n0.727129 0.272871 0.727129 O\n0.272871 0.727129 0.272871 O\n0.727129 0.727129 0.272871 O\n0.272871 0.272871 0.727129 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Sr",
"Pr",
"W",
"O"
],
"chemical_system": "K-O-Pr-Sr-W",
"density": 5.721039728322475,
"density_atomic": 0.06293201084862966,
"volume": 158.90164425308123,
"volume_molar": 9.569280686875002,
"formula_full": "K1 Sr1 Pr1 W1 O6",
"formula_reduced": "KSrPrWO6",
"formula_anonymous": "ABCDE6",
"energy": -78.59312374,
"energy_per_atom": -7.859312374,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.03312374,
"band_gap": 2.8602,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.774000Z",
"spacegroup": 216
},
{
"id": "mp-1523038",
"created_at": "2022-09-04T14:40:41.149025Z",
"structure_string": "Sr1 Gd1 Zr1 Ti1 O6\n1.0\n-0.000000 -4.055127 -4.055127\n4.055127 -0.000000 -4.055127\n4.055127 -4.055127 0.000000\nSr Gd Zr Ti O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Gd\n0.500000 0.500000 0.500000 Zr\n-0.000000 0.000000 -0.000000 Ti\n0.756973 0.243027 0.243027 O\n0.243027 0.756973 0.756973 O\n0.756973 0.243027 0.756973 O\n0.243027 0.756973 0.243027 O\n0.756973 0.756973 0.243027 O\n0.243027 0.243027 0.756973 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Gd",
"Zr",
"Ti",
"O"
],
"chemical_system": "Gd-O-Sr-Ti-Zr",
"density": 5.975970065296277,
"density_atomic": 0.07498193156975452,
"volume": 133.36546272747262,
"volume_molar": 8.031455890673737,
"formula_full": "Sr1 Gd1 Zr1 Ti1 O6",
"formula_reduced": "SrGdZrTiO6",
"formula_anonymous": "ABCDE6",
"energy": -96.71106757,
"energy_per_atom": -9.671106757,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -92.58906757,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.1758226,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.381000Z",
"spacegroup": 216
},
{
"id": "mp-1521412",
"created_at": "2022-09-04T14:41:26.759337Z",
"structure_string": "Ba1 Ca1 Cu1 Bi1 O6\n1.0\n0.000000 -4.125202 -4.125202\n4.125202 -0.000000 -4.125202\n4.125202 -4.125202 0.000000\nBa Ca Cu Bi O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 -0.000000 Bi\n0.739489 0.260511 0.260511 O\n0.260511 0.739489 0.739489 O\n0.739489 0.260511 0.739489 O\n0.260511 0.739489 0.260511 O\n0.739489 0.739489 0.260511 O\n0.260511 0.260511 0.739489 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Ca",
"Cu",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-Ca-Cu-O",
"density": 6.4568196073613295,
"density_atomic": 0.07122530955722589,
"volume": 140.39953019741546,
"volume_molar": 8.455057334867066,
"formula_full": "Ba1 Ca1 Cu1 Bi1 O6",
"formula_reduced": "BaCaCuBiO6",
"formula_anonymous": "ABCDE6",
"energy": -60.51636389000001,
"energy_per_atom": -6.0516363890000004,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -56.39436389,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.3e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:20.141000Z",
"spacegroup": 216
},
{
"id": "mp-1521000",
"created_at": "2022-09-04T14:39:19.581817Z",
"structure_string": "Ba4 Sr4 Ce4 Zr4 O24\n1.0\n8.603131 0.000000 0.000000\n0.000000 8.611446 0.000000\n0.000000 0.000000 8.619080\nBa Sr Ce Zr O\n4 4 4 4 24\ndirect\n0.000000 -0.000000 -0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.000000 0.500000 0.500000 Ba\n0.500000 0.500000 -0.000000 Ba\n0.500000 -0.000000 0.500000 Sr\n0.500000 0.000000 -0.000000 Sr\n0.000000 0.500000 0.000000 Sr\n-0.000000 -0.000000 0.500000 Sr\n0.750022 0.752790 0.750451 Ce\n0.249978 0.247210 0.750451 Ce\n0.249978 0.752790 0.249550 Ce\n0.750022 0.247210 0.249550 Ce\n0.249878 0.246903 0.249469 Zr\n0.750122 0.753097 0.249469 Zr\n0.750122 0.246903 0.750531 Zr\n0.249878 0.753097 0.750531 Zr\n0.007639 0.209490 0.286041 O\n0.992361 0.790510 0.286041 O\n0.992361 0.209490 0.713959 O\n0.007639 0.790510 0.713959 O\n0.285444 0.006694 0.208900 O\n0.285444 0.993306 0.791100 O\n0.714556 0.993306 0.208900 O\n0.714556 0.006694 0.791100 O\n0.209915 0.282398 0.007631 O\n0.790085 0.282398 0.992369 O\n0.209915 0.717602 0.992369 O\n0.790085 0.717602 0.007631 O\n0.493388 0.276055 0.222964 O\n0.506612 0.723945 0.222964 O\n0.506612 0.276055 0.777036 O\n0.493388 0.723945 0.777036 O\n0.225416 0.492213 0.277820 O\n0.225416 0.507787 0.722180 O\n0.774584 0.507787 0.277820 O\n0.774584 0.492213 0.722180 O\n0.285433 0.214517 0.492648 O\n0.714567 0.214517 0.507352 O\n0.285433 0.785483 0.507352 O\n0.714567 0.785483 0.492648 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Ce",
"Zr",
"O"
],
"chemical_system": "Ba-Ce-O-Sr-Zr",
"density": 5.744834850359469,
"density_atomic": 0.06264212200434409,
"volume": 638.5479725164178,
"volume_molar": 9.613564431266198,
"formula_full": "Ba4 Sr4 Ce4 Zr4 O24",
"formula_reduced": "BaSrCeZrO6",
"formula_anonymous": "ABCDE6",
"energy": -334.98893914,
"energy_per_atom": -8.3747234785,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -318.50093914,
"band_gap": 2.2538000000000005,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.921000Z",
"spacegroup": 16
},
{
"id": "mp-1522833",
"created_at": "2022-09-04T14:39:19.567821Z",
"structure_string": "Ba1 Ca1 Eu1 W1 O6\n1.0\n0.000000 -4.297495 -4.297495\n4.297495 0.000000 -4.297495\n4.297495 -4.297495 0.000000\nBa Ca Eu W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ca\n0.000000 -0.000000 0.000000 Eu\n0.500000 0.500000 0.500000 W\n0.728879 0.271121 0.271121 O\n0.271121 0.728879 0.728879 O\n0.728879 0.271121 0.728879 O\n0.271121 0.728879 0.271121 O\n0.728879 0.728879 0.271121 O\n0.271121 0.271121 0.728879 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Ca",
"Eu",
"W",
"O"
],
"chemical_system": "Ba-Ca-Eu-O-W",
"density": 6.372894160136364,
"density_atomic": 0.06299757962451735,
"volume": 158.7362571642071,
"volume_molar": 9.559320843584135,
"formula_full": "Ba1 Ca1 Eu1 W1 O6",
"formula_reduced": "BaCaEuWO6",
"formula_anonymous": "ABCDE6",
"energy": -85.30795637,
"energy_per_atom": -8.530795637,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.74795637,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.9999996,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.577000Z",
"spacegroup": 216
},
{
"id": "mp-1520344",
"created_at": "2022-09-04T14:43:11.287280Z",
"structure_string": "K1 Ca1 Zr1 Nb1 O6\n1.0\n0.000000 -4.111118 -4.111118\n4.111118 -0.000000 -4.111118\n4.111118 -4.111118 -0.000000\nK Ca Zr Nb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Ca\n0.500000 0.500000 0.500000 Zr\n-0.000000 -0.000000 -0.000000 Nb\n0.755667 0.244333 0.244333 O\n0.244333 0.755667 0.755667 O\n0.755667 0.244333 0.755667 O\n0.244333 0.755667 0.244333 O\n0.755667 0.755667 0.244333 O\n0.244333 0.244333 0.755667 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Ca",
"Zr",
"Nb",
"O"
],
"chemical_system": "Ca-K-Nb-O-Zr",
"density": 4.293388757874412,
"density_atomic": 0.07195983804607614,
"volume": 138.96640503272067,
"volume_molar": 8.368752520182163,
"formula_full": "K1 Ca1 Zr1 Nb1 O6",
"formula_reduced": "KCaZrNbO6",
"formula_anonymous": "ABCDE6",
"energy": -83.33445587,
"energy_per_atom": -8.333445587,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.21245587,
"band_gap": 2.243,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:12.193000Z",
"spacegroup": 216
},
{
"id": "mp-1518082",
"created_at": "2022-09-04T14:41:04.839998Z",
"structure_string": "K1 Pr1 Fe1 Bi1 O6\n1.0\n-0.000000 -4.090135 -4.090135\n4.090135 -0.000000 -4.090135\n4.090135 -4.090135 0.000000\nK Pr Fe Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Pr\n0.500000 0.500000 0.500000 Fe\n0.000000 -0.000000 0.000000 Bi\n0.743766 0.256234 0.256234 O\n0.256234 0.743766 0.743766 O\n0.743766 0.256234 0.743766 O\n0.256234 0.743766 0.256234 O\n0.743766 0.743766 0.256234 O\n0.256234 0.256234 0.743766 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Pr",
"Fe",
"Bi",
"O"
],
"chemical_system": "Bi-Fe-K-O-Pr",
"density": 6.562436907361512,
"density_atomic": 0.07307302333951494,
"volume": 136.84940820824644,
"volume_molar": 8.241263991527594,
"formula_full": "K1 Pr1 Fe1 Bi1 O6",
"formula_reduced": "KPrFeBiO6",
"formula_anonymous": "ABCDE6",
"energy": -67.84716792,
"energy_per_atom": -6.784716792,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -61.46916792,
"band_gap": 0.3772000000000002,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 5.0000005,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.311000Z",
"spacegroup": 216
},
{
"id": "mp-1522221",
"created_at": "2022-09-04T14:46:53.435293Z",
"structure_string": "K4 Sr4 Tb4 Sb4 O24\n1.0\n8.465310 0.000000 0.000000\n0.000000 8.467195 0.000000\n0.000000 0.000000 8.421936\nK Sr Tb Sb O\n4 4 4 4 24\ndirect\n0.000000 0.500000 0.500000 K\n0.500000 0.000000 0.500000 K\n0.500000 0.000000 0.000000 K\n0.000000 0.500000 0.000000 K\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Sr\n0.250000 0.250000 0.250000 Tb\n0.750000 0.750000 0.250000 Tb\n0.750000 0.250000 0.750000 Tb\n0.250000 0.750000 0.750000 Tb\n0.750000 0.750000 0.750000 Sb\n0.250000 0.250000 0.750000 Sb\n0.250000 0.750000 0.250000 Sb\n0.750000 0.250000 0.250000 Sb\n0.986098 0.232364 0.255267 O\n0.013902 0.767636 0.255267 O\n0.013902 0.232364 0.744733 O\n0.986098 0.767636 0.744733 O\n0.243287 0.986017 0.244542 O\n0.243287 0.013983 0.755458 O\n0.756713 0.013983 0.244542 O\n0.756713 0.986017 0.755458 O\n0.245241 0.254645 0.985941 O\n0.754759 0.254645 0.014059 O\n0.245241 0.745355 0.014059 O\n0.754759 0.745355 0.985941 O\n0.513902 0.267636 0.244733 O\n0.486098 0.732364 0.244733 O\n0.486098 0.267636 0.755267 O\n0.513902 0.732364 0.755267 O\n0.256713 0.513983 0.255458 O\n0.256713 0.486017 0.744542 O\n0.743287 0.486017 0.255458 O\n0.743287 0.513983 0.744542 O\n0.254759 0.245355 0.514059 O\n0.745241 0.245355 0.485941 O\n0.254759 0.754645 0.485941 O\n0.745241 0.754645 0.514059 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"K",
"Sr",
"Tb",
"Sb",
"O"
],
"chemical_system": "K-O-Sb-Sr-Tb",
"density": 5.538956800487203,
"density_atomic": 0.06626216570224899,
"volume": 603.6627323613476,
"volume_molar": 9.088354864615606,
"formula_full": "K4 Sr4 Tb4 Sb4 O24",
"formula_reduced": "KSrTbSbO6",
"formula_anonymous": "ABCDE6",
"energy": -271.43137791000004,
"energy_per_atom": -6.785784447750001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -254.94337791,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.9467046,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:39.647000Z",
"spacegroup": 134
},
{
"id": "mp-1043996",
"created_at": "2022-09-04T14:43:11.350384Z",
"structure_string": "La2 Mg2 Mn2 Fe2 O12\n1.0\n5.479710 0.000008 0.000005\n0.000008 5.338525 -0.012936\n0.000007 -0.017695 7.650471\nLa Mg Mn Fe O\n2 2 2 2 12\ndirect\n0.033632 0.991971 0.250425 La\n0.466366 0.491973 0.750426 La\n0.554678 0.526226 0.250566 Mg\n0.945331 0.026223 0.750565 Mg\n0.502316 0.999425 0.499288 Mn\n0.997683 0.499418 0.999277 Mn\n0.499842 0.001292 0.002508 Fe\n0.000157 0.501286 0.502508 Fe\n0.019919 0.626964 0.755460 O\n0.194737 0.199645 0.942477 O\n0.203961 0.188601 0.557601 O\n0.296038 0.688600 0.057601 O\n0.305262 0.699644 0.442478 O\n0.480080 0.126964 0.255459 O\n0.543811 0.924016 0.744526 O\n0.727359 0.266047 0.551259 O\n0.733321 0.275819 0.945894 O\n0.766680 0.775819 0.445894 O\n0.772640 0.766046 0.051258 O\n0.956188 0.424015 0.244525 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"La",
"Mg",
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-La-Mg-Mn-O",
"density": 5.490405037928669,
"density_atomic": 0.08936457627296623,
"volume": 223.80232564309958,
"volume_molar": 6.738845537190516,
"formula_full": "La2 Mg2 Mn2 Fe2 O12",
"formula_reduced": "LaMgMnFeO6",
"formula_anonymous": "ABCDE6",
"energy": -158.475957,
"energy_per_atom": -7.92379785,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -142.383957,
"band_gap": 1.4124,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.0000279,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.785000Z",
"spacegroup": 7
},
{
"id": "mp-1522883",
"created_at": "2022-09-04T14:47:25.926907Z",
"structure_string": "Ba2 Sr2 Gd2 Nb2 O12\n1.0\n5.991328 -0.012349 -0.011402\n-0.014870 6.026401 -0.015155\n-0.019135 -0.024062 8.495671\nBa Sr Gd Nb O\n2 2 2 2 12\ndirect\n0.506096 0.526205 0.250028 Ba\n0.493904 0.473795 0.749972 Ba\n0.994213 0.032470 0.250907 Sr\n0.005787 0.967530 0.749093 Sr\n-0.000000 0.500000 -0.000000 Gd\n0.500000 -0.000000 0.500000 Gd\n0.500000 -0.000000 -0.000000 Nb\n-0.000000 0.500000 0.500000 Nb\n0.230272 0.198077 0.961134 O\n0.264321 0.704916 0.533868 O\n0.769728 0.801923 0.038866 O\n0.735679 0.295084 0.466132 O\n0.297055 0.734354 0.964178 O\n0.195538 0.227294 0.537572 O\n0.702945 0.265646 0.035822 O\n0.804462 0.772706 0.462428 O\n0.423479 0.991792 0.233664 O\n0.061558 0.478226 0.265830 O\n0.576521 0.008208 0.766336 O\n0.938442 0.521774 0.734170 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Gd",
"Nb",
"O"
],
"chemical_system": "Ba-Gd-Nb-O-Sr",
"density": 6.183287672549032,
"density_atomic": 0.06520161632093649,
"volume": 306.7408620908363,
"volume_molar": 9.23618324177382,
"formula_full": "Ba2 Sr2 Gd2 Nb2 O12",
"formula_reduced": "BaSrGdNbO6",
"formula_anonymous": "ABCDE6",
"energy": -183.33472856,
"energy_per_atom": -9.166736428,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -175.09072856,
"band_gap": 2.7823,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 14.000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:08.088000Z",
"spacegroup": 2
},
{
"id": "mp-1523047",
"created_at": "2022-09-04T14:44:15.374003Z",
"structure_string": "Ba2 Eu2 In2 Bi2 O12\n1.0\n6.056806 0.018880 -0.001938\n0.020263 6.054625 0.001129\n-0.002576 0.001832 8.543267\nBa Eu In Bi O\n2 2 2 2 12\ndirect\n0.993454 0.024560 0.250227 Ba\n0.006546 0.975440 0.749773 Ba\n0.504899 0.532449 0.249743 Eu\n0.495101 0.467551 0.750257 Eu\n0.500000 -0.000000 -0.000000 In\n0.000000 0.500000 0.500000 In\n0.000000 0.500000 -0.000000 Bi\n0.500000 -0.000000 0.500000 Bi\n0.224767 0.223937 0.960653 O\n0.299223 0.703920 0.540093 O\n0.775233 0.776063 0.039347 O\n0.700777 0.296080 0.459907 O\n0.295023 0.701363 0.959439 O\n0.224814 0.224909 0.539254 O\n0.704977 0.298637 0.040561 O\n0.775186 0.775091 0.460746 O\n0.440451 0.974978 0.250990 O\n0.089463 0.493710 0.249578 O\n0.559549 0.025022 0.749010 O\n0.910537 0.506290 0.750422 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Ba",
"Eu",
"In",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-Eu-In-O",
"density": 7.516706257839596,
"density_atomic": 0.06383806184234135,
"volume": 313.2927194655957,
"volume_molar": 9.433464278525047,
"formula_full": "Ba2 Eu2 In2 Bi2 O12",
"formula_reduced": "BaEuInBiO6",
"formula_anonymous": "ABCDE6",
"energy": -143.71256781,
"energy_per_atom": -7.1856283905,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -135.46856781,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.3746256,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:36.510000Z",
"spacegroup": 2
}
]
}