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=21",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=19",
"results": [
{
"id": "mp-1523192",
"created_at": "2022-09-04T14:42:04.269314Z",
"structure_string": "Ba1 Sr1 Gd1 Sb1 O6\n1.0\n-0.000000 -4.254123 -4.254123\n4.254123 0.000000 -4.254123\n4.254123 -4.254123 -0.000000\nBa Sr Gd Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Sr\n-0.000000 0.000000 -0.000000 Gd\n0.500000 0.500000 0.500000 Sb\n0.735569 0.264431 0.264431 O\n0.264431 0.735569 0.735569 O\n0.735569 0.264431 0.735569 O\n0.264431 0.735569 0.264431 O\n0.735569 0.735569 0.264431 O\n0.264431 0.264431 0.735569 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Gd",
"Sb",
"O"
],
"chemical_system": "Ba-Gd-O-Sb-Sr",
"density": 6.470032958640749,
"density_atomic": 0.06494412601418507,
"volume": 153.97851374296428,
"volume_molar": 9.272802837757252,
"formula_full": "Ba1 Sr1 Gd1 Sb1 O6",
"formula_reduced": "BaSrGdSbO6",
"formula_anonymous": "ABCDE6",
"energy": -81.76681521999998,
"energy_per_atom": -8.176681521999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.64481522,
"band_gap": 3.6895,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:43.498000Z",
"spacegroup": 216
},
{
"id": "mp-1523104",
"created_at": "2022-09-04T14:41:45.867895Z",
"structure_string": "Sr2 Ca2 Sm2 Bi2 O12\n1.0\n5.908828 0.000144 0.010704\n0.007822 6.095787 -0.001781\n0.028324 0.007016 8.503562\nSr Ca Sm Bi O\n2 2 2 2 12\ndirect\n0.511514 0.551760 0.250067 Sr\n0.488486 0.448240 0.749933 Sr\n0.985716 0.048618 0.247881 Ca\n0.014284 0.951382 0.752119 Ca\n0.500000 -0.000000 -0.000000 Sm\n0.000000 0.500000 0.500000 Sm\n0.000000 0.500000 -0.000000 Bi\n0.500000 -0.000000 0.500000 Bi\n0.180720 0.204832 0.934284 O\n0.315445 0.708495 0.556987 O\n0.819280 0.795168 0.065716 O\n0.684555 0.291505 0.443013 O\n0.293096 0.691388 0.947964 O\n0.206484 0.187578 0.566353 O\n0.706904 0.308612 0.052036 O\n0.793516 0.812422 0.433647 O\n0.375189 0.962477 0.261689 O\n0.102814 0.437760 0.238767 O\n0.624811 0.037523 0.738311 O\n0.897186 0.562240 0.761233 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Sm",
"Bi",
"O"
],
"chemical_system": "Bi-Ca-O-Sm-Sr",
"density": 6.3218485154924995,
"density_atomic": 0.06529809479099603,
"volume": 306.287649953882,
"volume_molar": 9.222536705359426,
"formula_full": "Sr2 Ca2 Sm2 Bi2 O12",
"formula_reduced": "SrCaSmBiO6",
"formula_anonymous": "ABCDE6",
"energy": -140.11406885,
"energy_per_atom": -7.0057034425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -131.87006885,
"band_gap": 1.7071,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:24.208000Z",
"spacegroup": 2
},
{
"id": "mp-1518412",
"created_at": "2022-09-04T14:42:29.204692Z",
"structure_string": "Ba1 Eu1 Ti1 Bi1 O6\n1.0\n-0.000000 -4.205292 -4.205292\n4.205292 -0.000000 -4.205292\n4.205292 -4.205292 -0.000000\nBa Eu Ti Bi O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 Ti\n0.000000 -0.000000 0.000000 Bi\n0.734663 0.265337 0.265337 O\n0.265337 0.734663 0.734663 O\n0.734663 0.265337 0.734663 O\n0.265337 0.734663 0.265337 O\n0.734663 0.734663 0.265337 O\n0.265337 0.265337 0.734663 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Eu",
"Ti",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-Eu-O-Ti",
"density": 7.168971232062597,
"density_atomic": 0.0672328518541451,
"volume": 148.73681130906053,
"volume_molar": 8.957140138967224,
"formula_full": "Ba1 Eu1 Ti1 Bi1 O6",
"formula_reduced": "BaEuTiBiO6",
"formula_anonymous": "ABCDE6",
"energy": -81.48024016,
"energy_per_atom": -8.148024015999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.35824016,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.6048473,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:48.750000Z",
"spacegroup": 216
},
{
"id": "mp-1520105",
"created_at": "2022-09-04T14:43:51.789177Z",
"structure_string": "Eu1 Nb1 Cr1 Sn1 O6\n1.0\n-0.000000 -4.037209 -4.037209\n4.037209 0.000000 -4.037209\n4.037209 -4.037209 -0.000000\nEu Nb Cr Sn O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 Nb\n0.000000 0.000000 0.000000 Cr\n0.250000 0.250000 0.250000 Sn\n0.750720 0.249280 0.249280 O\n0.249280 0.750720 0.750720 O\n0.750720 0.249280 0.750720 O\n0.249280 0.750720 0.249280 O\n0.750720 0.750720 0.249280 O\n0.249280 0.249280 0.750720 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Eu",
"Nb",
"Cr",
"Sn",
"O"
],
"chemical_system": "Cr-Eu-Nb-O-Sn",
"density": 6.454801879086615,
"density_atomic": 0.07598472676504145,
"volume": 131.60539526478541,
"volume_molar": 7.925462150599753,
"formula_full": "Eu1 Nb1 Cr1 Sn1 O6",
"formula_reduced": "EuNbCrSnO6",
"formula_anonymous": "ABCDE6",
"energy": -89.67772706999997,
"energy_per_atom": -8.967772706999998,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -83.55672707,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.9471905,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:38.020000Z",
"spacegroup": 216
},
{
"id": "mp-1519762",
"created_at": "2022-09-04T14:43:20.551273Z",
"structure_string": "K4 Sr4 Pr4 Mn4 O24\n1.0\n8.462235 0.000000 0.000000\n0.000000 8.431590 0.000000\n0.000000 0.000000 8.476315\nK Sr Pr Mn O\n4 4 4 4 24\ndirect\n0.500000 -0.000000 0.500000 K\n0.500000 0.500000 0.000000 K\n-0.000000 0.500000 0.000000 K\n-0.000000 0.000000 0.500000 K\n-0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 -0.000000 Sr\n-0.000000 -0.000000 -0.000000 Sr\n0.500000 0.500000 0.500000 Sr\n0.250000 0.250000 0.250000 Pr\n0.750000 0.750000 0.250000 Pr\n0.750000 0.250000 0.750000 Pr\n0.250000 0.750000 0.750000 Pr\n0.750000 0.750000 0.750000 Mn\n0.250000 0.250000 0.750000 Mn\n0.250000 0.750000 0.250000 Mn\n0.750000 0.250000 0.250000 Mn\n0.974247 0.231896 0.266214 O\n0.025753 0.768104 0.266214 O\n0.025753 0.231896 0.733786 O\n0.974247 0.768104 0.733786 O\n0.268545 0.976295 0.215379 O\n0.268545 0.023705 0.784621 O\n0.731455 0.023705 0.215379 O\n0.731455 0.976295 0.784621 O\n0.228976 0.256149 0.974814 O\n0.771024 0.256149 0.025186 O\n0.228976 0.743851 0.025186 O\n0.771024 0.743851 0.974814 O\n0.525753 0.268104 0.233786 O\n0.474247 0.731896 0.233786 O\n0.474247 0.268104 0.766214 O\n0.525753 0.731896 0.766214 O\n0.231455 0.523705 0.284621 O\n0.231455 0.476295 0.715379 O\n0.768545 0.476295 0.284621 O\n0.768545 0.523705 0.715379 O\n0.271024 0.243851 0.525186 O\n0.728976 0.243851 0.474814 O\n0.271024 0.756149 0.474814 O\n0.728976 0.756149 0.525186 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"K",
"Sr",
"Pr",
"Mn",
"O"
],
"chemical_system": "K-Mn-O-Pr-Sr",
"density": 4.596905452076626,
"density_atomic": 0.06613910927330717,
"volume": 604.7858890071785,
"volume_molar": 9.105264383157413,
"formula_full": "K4 Sr4 Pr4 Mn4 O24",
"formula_reduced": "KSrPrMnO6",
"formula_anonymous": "ABCDE6",
"energy": -278.17722938,
"energy_per_atom": -6.954430734500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -255.01722938,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:11.490000Z",
"spacegroup": 48
},
{
"id": "mp-1516260",
"created_at": "2022-09-04T14:43:00.050258Z",
"structure_string": "Sr1 Ce1 Eu1 Cr1 O6\n1.0\n0.000000 -4.142330 -4.142330\n4.142330 0.000000 -4.142330\n4.142330 -4.142330 -0.000000\nSr Ce Eu Cr O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.000000 -0.000000 0.000000 Ce\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 Cr\n0.735397 0.264603 0.264603 O\n0.264603 0.735397 0.735397 O\n0.735397 0.264603 0.735397 O\n0.264603 0.735397 0.264603 O\n0.735397 0.735397 0.264603 O\n0.264603 0.264603 0.735397 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Ce",
"Eu",
"Cr",
"O"
],
"chemical_system": "Ce-Cr-Eu-O-Sr",
"density": 6.164046993725574,
"density_atomic": 0.07034543538196653,
"volume": 142.1556344871747,
"volume_molar": 8.560812407088765,
"formula_full": "Sr1 Ce1 Eu1 Cr1 O6",
"formula_reduced": "SrCeEuCrO6",
"formula_anonymous": "ABCDE6",
"energy": -87.57970469,
"energy_per_atom": -8.757970469,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -81.45870469,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:03.476000Z",
"spacegroup": 216
},
{
"id": "mp-1516807",
"created_at": "2022-09-04T14:42:39.522553Z",
"structure_string": "Nd4 Eu4 Mn4 Cr4 O24\n1.0\n8.883946 0.000000 0.000000\n0.000000 8.692371 0.000000\n0.000000 0.000000 8.923201\nNd Eu Mn Cr O\n4 4 4 4 24\ndirect\n0.000000 0.500000 0.500000 Nd\n0.500000 0.000000 0.000000 Nd\n0.000000 0.500000 0.000000 Nd\n0.000000 0.000000 0.500000 Nd\n0.500000 0.000000 0.500000 Eu\n0.500000 0.500000 0.000000 Eu\n0.000000 0.000000 0.000000 Eu\n0.500000 0.500000 0.500000 Eu\n0.251486 0.250536 0.252283 Mn\n0.748514 0.749464 0.252283 Mn\n0.748514 0.250536 0.747717 Mn\n0.251486 0.749464 0.747717 Mn\n0.748061 0.748729 0.748276 Cr\n0.251939 0.251271 0.748276 Cr\n0.251939 0.748729 0.251724 Cr\n0.748061 0.251271 0.251724 Cr\n0.010100 0.221607 0.278629 O\n0.989900 0.778393 0.278629 O\n0.989900 0.221607 0.721371 O\n0.010100 0.778393 0.721371 O\n0.273945 0.014965 0.214993 O\n0.273945 0.985035 0.785007 O\n0.726055 0.985035 0.214993 O\n0.726055 0.014965 0.785007 O\n0.215186 0.274794 0.012001 O\n0.784814 0.274794 0.987999 O\n0.215186 0.725206 0.987999 O\n0.784814 0.725206 0.012001 O\n0.488098 0.276635 0.216666 O\n0.511902 0.723365 0.216666 O\n0.511902 0.276635 0.783334 O\n0.488098 0.723365 0.783334 O\n0.214407 0.485270 0.276717 O\n0.214407 0.514730 0.723283 O\n0.785593 0.514730 0.276717 O\n0.785593 0.485270 0.723283 O\n0.271037 0.220938 0.487482 O\n0.728963 0.220938 0.512518 O\n0.271037 0.779062 0.512518 O\n0.728963 0.779062 0.487482 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Nd",
"Eu",
"Mn",
"Cr",
"O"
],
"chemical_system": "Cr-Eu-Mn-Nd-O",
"density": 4.811313070439288,
"density_atomic": 0.05804905461415598,
"volume": 689.0723762148144,
"volume_molar": 10.37422710848322,
"formula_full": "Nd4 Eu4 Mn4 Cr4 O24",
"formula_reduced": "NdEuMnCrO6",
"formula_anonymous": "ABCDE6",
"energy": -330.8893175,
"energy_per_atom": -8.2722329375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -299.7333175,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9771826,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:04.378000Z",
"spacegroup": 16
},
{
"id": "mp-1520042",
"created_at": "2022-09-04T14:42:38.414678Z",
"structure_string": "Sr1 Eu1 In1 Sb1 O6\n1.0\n-0.000000 -4.162130 -4.162130\n4.162130 0.000000 -4.162130\n4.162130 -4.162130 -0.000000\nSr Eu In Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Eu\n0.000000 -0.000000 -0.000000 In\n0.500000 0.500000 0.500000 Sb\n0.741238 0.258762 0.258762 O\n0.258762 0.741238 0.741238 O\n0.741238 0.258762 0.741238 O\n0.258762 0.741238 0.258762 O\n0.741238 0.741238 0.258762 O\n0.258762 0.258762 0.741238 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Eu",
"In",
"Sb",
"O"
],
"chemical_system": "Eu-In-O-Sb-Sr",
"density": 6.588528934942823,
"density_atomic": 0.06934626610615191,
"volume": 144.20387082835123,
"volume_molar": 8.68416008265189,
"formula_full": "Sr1 Eu1 In1 Sb1 O6",
"formula_reduced": "SrEuInSbO6",
"formula_anonymous": "ABCDE6",
"energy": -73.60284895,
"energy_per_atom": -7.3602848949999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.48084895,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.8919301,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.524000Z",
"spacegroup": 216
},
{
"id": "mp-1517067",
"created_at": "2022-09-04T14:43:22.396640Z",
"structure_string": "Na1 La1 Gd1 Sb1 O6\n1.0\n0.000000 -4.191833 -4.191833\n4.191833 0.000000 -4.191833\n4.191833 -4.191833 0.000000\nNa La Gd Sb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 La\n0.000000 -0.000000 -0.000000 Gd\n0.500000 0.500000 0.500000 Sb\n0.736029 0.263971 0.263971 O\n0.263971 0.736029 0.736029 O\n0.736029 0.263971 0.736029 O\n0.263971 0.736029 0.263971 O\n0.736029 0.736029 0.263971 O\n0.263971 0.263971 0.736029 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"La",
"Gd",
"Sb",
"O"
],
"chemical_system": "Gd-La-Na-O-Sb",
"density": 6.052041743331976,
"density_atomic": 0.06788254050632335,
"volume": 147.31328446772682,
"volume_molar": 8.871413348825724,
"formula_full": "Na1 La1 Gd1 Sb1 O6",
"formula_reduced": "NaLaGdSbO6",
"formula_anonymous": "ABCDE6",
"energy": -82.23242822,
"energy_per_atom": -8.223242822,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -78.11042822,
"band_gap": 2.2363000000000004,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.9999998,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:15.880000Z",
"spacegroup": 216
},
{
"id": "mp-1520401",
"created_at": "2022-09-04T14:43:13.358527Z",
"structure_string": "Ba1 Eu1 Dy1 Sb1 O6\n1.0\n0.000000 -4.226996 -4.226996\n4.226996 -0.000000 -4.226996\n4.226996 -4.226996 0.000000\nBa Eu Dy Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Eu\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Sb\n0.737105 0.262895 0.262895 O\n0.262895 0.737105 0.737105 O\n0.737105 0.262895 0.737105 O\n0.262895 0.737105 0.262895 O\n0.737105 0.737105 0.262895 O\n0.262895 0.262895 0.737105 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Eu",
"Dy",
"Sb",
"O"
],
"chemical_system": "Ba-Dy-Eu-O-Sb",
"density": 7.3604593602970985,
"density_atomic": 0.06620251582081672,
"volume": 151.05166134570976,
"volume_molar": 9.096543666557151,
"formula_full": "Ba1 Eu1 Dy1 Sb1 O6",
"formula_reduced": "BaEuDySbO6",
"formula_anonymous": "ABCDE6",
"energy": -81.02674687000001,
"energy_per_atom": -8.102674687,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.90474687,
"band_gap": 0.4085999999999998,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 7.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:11.202000Z",
"spacegroup": 216
},
{
"id": "mp-1518138",
"created_at": "2022-09-04T14:41:49.120438Z",
"structure_string": "Sr1 Pr1 Dy1 Fe1 O6\n1.0\n-0.000000 -4.093135 -4.093135\n4.093135 0.000000 -4.093135\n4.093135 -4.093135 -0.000000\nSr Pr Dy Fe O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Pr\n-0.000000 0.000000 -0.000000 Dy\n0.500000 0.500000 0.500000 Fe\n0.736001 0.263999 0.263999 O\n0.263999 0.736001 0.736001 O\n0.736001 0.263999 0.736001 O\n0.263999 0.736001 0.263999 O\n0.736001 0.736001 0.263999 O\n0.263999 0.263999 0.736001 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Pr",
"Dy",
"Fe",
"O"
],
"chemical_system": "Dy-Fe-O-Pr-Sr",
"density": 6.572732806609978,
"density_atomic": 0.07291246784644256,
"volume": 137.1507548072645,
"volume_molar": 8.259411507895935,
"formula_full": "Sr1 Pr1 Dy1 Fe1 O6",
"formula_reduced": "SrPrDyFeO6",
"formula_anonymous": "ABCDE6",
"energy": -77.76163054,
"energy_per_atom": -7.7761630539999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -71.38363054,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0000004,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.478000Z",
"spacegroup": 216
},
{
"id": "mp-1520394",
"created_at": "2022-09-04T14:43:14.002313Z",
"structure_string": "Ba4 Tb4 Eu4 V4 O24\n1.0\n11.592879 0.000000 0.000000\n0.000000 11.204565 0.000000\n0.000000 0.000000 10.367638\nBa Tb Eu V O\n4 4 4 4 24\ndirect\n0.000000 -0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.500000 -0.000000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.750945 0.751219 0.746118 Tb\n0.249055 0.248781 0.746118 Tb\n0.249055 0.751219 0.253882 Tb\n0.750945 0.248781 0.253882 Tb\n0.000000 0.500000 0.500000 Eu\n0.500000 -0.000000 0.000000 Eu\n-0.000000 0.500000 0.000000 Eu\n-0.000000 -0.000000 0.500000 Eu\n0.251762 0.247104 0.252962 V\n0.748238 0.752896 0.252962 V\n0.748238 0.247104 0.747038 V\n0.251762 0.752896 0.747038 V\n0.016901 0.224979 0.278714 O\n0.983099 0.775021 0.278714 O\n0.983099 0.224979 0.721286 O\n0.016901 0.775021 0.721286 O\n0.274915 0.018934 0.220361 O\n0.274915 0.981066 0.779639 O\n0.725085 0.981066 0.220361 O\n0.725085 0.018934 0.779639 O\n0.219705 0.278508 0.026657 O\n0.780295 0.278508 0.973343 O\n0.219705 0.721492 0.973343 O\n0.780295 0.721492 0.026657 O\n0.478687 0.266629 0.228087 O\n0.521313 0.733371 0.228087 O\n0.521313 0.266629 0.771913 O\n0.478687 0.733371 0.771913 O\n0.219184 0.483033 0.275868 O\n0.219184 0.516967 0.724132 O\n0.780816 0.516967 0.275868 O\n0.780816 0.483033 0.724132 O\n0.267111 0.228200 0.474135 O\n0.732889 0.228200 0.525865 O\n0.267111 0.771800 0.525865 O\n0.732889 0.771800 0.474135 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Ba",
"Tb",
"Eu",
"V",
"O"
],
"chemical_system": "Ba-Eu-O-Tb-V",
"density": 2.935435214488964,
"density_atomic": 0.02970255872258718,
"volume": 1346.6853267958418,
"volume_molar": 20.274821493477894,
"formula_full": "Ba4 Tb4 Eu4 V4 O24",
"formula_reduced": "BaTbEuVO6",
"formula_anonymous": "ABCDE6",
"energy": -223.79921371,
"energy_per_atom": -5.5949803427500004,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -200.51121371,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.4074279,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:06.211000Z",
"spacegroup": 16
}
]
}