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=82",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=80",
"results": [
{
"id": "mp-1522962",
"created_at": "2022-09-04T14:48:26.623033Z",
"structure_string": "Na1 Eu1 Hf1 Zr1 O6\n1.0\n-0.000000 -4.126628 -4.126628\n4.126628 -0.000000 -4.126628\n4.126628 -4.126628 0.000000\nNa Eu Hf Zr O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Eu\n-0.000000 0.000000 -0.000000 Hf\n0.500000 0.500000 0.500000 Zr\n0.751780 0.248220 0.248220 O\n0.248220 0.751780 0.751780 O\n0.751780 0.248220 0.751780 O\n0.248220 0.751780 0.248220 O\n0.751780 0.751780 0.248220 O\n0.248220 0.248220 0.751780 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"Eu",
"Hf",
"Zr",
"O"
],
"chemical_system": "Eu-Hf-Na-O-Zr",
"density": 6.387938539977089,
"density_atomic": 0.07115149709013284,
"volume": 140.54518048063366,
"volume_molar": 8.463828599939804,
"formula_full": "Na1 Eu1 Hf1 Zr1 O6",
"formula_reduced": "NaEuHfZrO6",
"formula_anonymous": "ABCDE6",
"energy": -92.7846659,
"energy_per_atom": -9.278466589999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -88.66266589999998,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9835632,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:11.171000Z",
"spacegroup": 216
},
{
"id": "mp-1520283",
"created_at": "2022-09-04T14:46:58.670884Z",
"structure_string": "K1 Sm1 Eu1 Sb1 O6\n1.0\n0.000000 -4.260573 -4.260573\n4.260573 -0.000000 -4.260573\n4.260573 -4.260573 0.000000\nK Sm Eu Sb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 Sm\n0.250000 0.250000 0.250000 Eu\n0.000000 0.000000 -0.000000 Sb\n0.765983 0.234017 0.234017 O\n0.234017 0.765983 0.765983 O\n0.765983 0.234017 0.765983 O\n0.234017 0.765983 0.234017 O\n0.765983 0.765983 0.234017 O\n0.234017 0.234017 0.765983 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Sm",
"Eu",
"Sb",
"O"
],
"chemical_system": "Eu-K-O-Sb-Sm",
"density": 6.002963315591658,
"density_atomic": 0.06464961930077483,
"volume": 154.6799518412655,
"volume_molar": 9.31504442738122,
"formula_full": "K1 Sm1 Eu1 Sb1 O6",
"formula_reduced": "KSmEuSbO6",
"formula_anonymous": "ABCDE6",
"energy": -76.23357642,
"energy_per_atom": -7.623357642,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.11157642,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:46.126000Z",
"spacegroup": 216
},
{
"id": "mp-1516942",
"created_at": "2022-09-04T14:41:19.738370Z",
"structure_string": "Na1 Ce1 Mn1 W1 O6\n1.0\n0.000000 -4.032536 -4.032536\n4.032536 -0.000000 -4.032536\n4.032536 -4.032536 0.000000\nNa Ce Mn W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Ce\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 W\n0.739979 0.260021 0.260021 O\n0.260021 0.739979 0.739979 O\n0.739979 0.260021 0.739979 O\n0.260021 0.739979 0.260021 O\n0.739979 0.739979 0.260021 O\n0.260021 0.260021 0.739979 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"Ce",
"Mn",
"W",
"O"
],
"chemical_system": "Ce-Mn-Na-O-W",
"density": 6.303898472657437,
"density_atomic": 0.07624919180030222,
"volume": 131.14893107575685,
"volume_molar": 7.89797323461746,
"formula_full": "Na1 Ce1 Mn1 W1 O6",
"formula_reduced": "NaCeMnWO6",
"formula_anonymous": "ABCDE6",
"energy": -83.79381996999999,
"energy_per_atom": -8.379381997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -73.56581997,
"band_gap": 0.1398999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0000007,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.865000Z",
"spacegroup": 216
},
{
"id": "mp-1522710",
"created_at": "2022-09-04T14:43:12.763132Z",
"structure_string": "K1 Hf1 Sn1 Sb1 O6\n1.0\n0.000000 -4.077063 -4.077063\n4.077063 0.000000 -4.077063\n4.077063 -4.077063 0.000000\nK Hf Sn Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Hf\n0.750000 0.750000 0.750000 Sn\n0.500000 0.500000 0.500000 Sb\n0.745443 0.254557 0.254557 O\n0.254557 0.745443 0.745443 O\n0.745443 0.254557 0.745443 O\n0.254557 0.745443 0.254557 O\n0.745443 0.745443 0.254557 O\n0.254557 0.254557 0.745443 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Hf",
"Sn",
"Sb",
"O"
],
"chemical_system": "Hf-K-O-Sb-Sn",
"density": 6.787806885518892,
"density_atomic": 0.07377814596720908,
"volume": 135.54149225225217,
"volume_molar": 8.16249945163512,
"formula_full": "K1 Hf1 Sn1 Sb1 O6",
"formula_reduced": "KHfSnSbO6",
"formula_anonymous": "ABCDE6",
"energy": -73.42452924,
"energy_per_atom": -7.342452924,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.30252924,
"band_gap": 2.858,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:07.221000Z",
"spacegroup": 216
},
{
"id": "mp-1520750",
"created_at": "2022-09-04T14:46:58.650574Z",
"structure_string": "Ba4 Tb4 Eu4 Sb4 O24\n1.0\n8.473848 0.000000 0.000000\n0.000000 8.444800 0.000000\n0.000000 0.000000 8.441076\nBa Tb Eu Sb O\n4 4 4 4 24\ndirect\n-0.000000 -0.000000 -0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.500000 -0.000000 0.500000 Ba\n-0.000000 0.500000 -0.000000 Ba\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\n-0.000000 0.500000 0.500000 Eu\n0.500000 0.500000 -0.000000 Eu\n0.500000 -0.000000 -0.000000 Eu\n-0.000000 -0.000000 0.500000 Eu\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\n0.985391 0.216669 0.279010 O\n0.014609 0.783331 0.279010 O\n0.014609 0.216669 0.720990 O\n0.985391 0.783331 0.720990 O\n0.281449 0.985430 0.217747 O\n0.281449 0.014570 0.782253 O\n0.718551 0.014570 0.217747 O\n0.718551 0.985430 0.782253 O\n0.225559 0.275019 0.986029 O\n0.774441 0.275019 0.013971 O\n0.225559 0.724981 0.013971 O\n0.774441 0.724981 0.986029 O\n0.514609 0.283331 0.220991 O\n0.485391 0.716669 0.220991 O\n0.485391 0.283331 0.779010 O\n0.514609 0.716669 0.779010 O\n0.218551 0.514570 0.282253 O\n0.218551 0.485430 0.717747 O\n0.781449 0.485430 0.282253 O\n0.781449 0.514570 0.717747 O\n0.274441 0.224981 0.513971 O\n0.725559 0.224981 0.486029 O\n0.274441 0.775019 0.486029 O\n0.725559 0.775019 0.513971 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Ba",
"Tb",
"Eu",
"Sb",
"O"
],
"chemical_system": "Ba-Eu-O-Sb-Tb",
"density": 7.323146114435105,
"density_atomic": 0.066220452296908,
"volume": 604.0429899308873,
"volume_molar": 9.094079776137665,
"formula_full": "Ba4 Tb4 Eu4 Sb4 O24",
"formula_reduced": "BaTbEuSbO6",
"formula_anonymous": "ABCDE6",
"energy": -324.39312881,
"energy_per_atom": -8.10982822025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -307.90512881,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 27.999591,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:45.862000Z",
"spacegroup": 48
},
{
"id": "mp-697828",
"created_at": "2022-09-04T14:43:16.082490Z",
"structure_string": "Na8 La8 Co8 W8 O48\n1.0\n11.843093 0.000000 0.000000\n0.000000 7.285475 0.000000\n0.000000 0.550950 14.399906\nNa La Co W O\n8 8 8 8 48\ndirect\n0.000000 0.501519 0.319403 Na\n0.000000 0.059120 0.796527 Na\n0.254323 0.946526 0.707373 Na\n0.275310 0.975166 0.203609 Na\n0.500000 0.039198 0.296266 Na\n0.500000 0.054785 0.795470 Na\n0.724690 0.975166 0.203609 Na\n0.745677 0.946526 0.707373 Na\n0.000000 0.024126 0.297372 La\n0.000000 0.513343 0.818390 La\n0.232021 0.511941 0.196407 La\n0.250370 0.489195 0.681155 La\n0.500000 0.491575 0.310929 La\n0.500000 0.510412 0.817456 La\n0.767979 0.511941 0.196407 La\n0.749630 0.489195 0.681155 La\n0.000000 0.753469 0.129935 Co\n0.000000 0.741075 0.625574 Co\n0.249989 0.244470 0.372076 Co\n0.251422 0.261993 0.875756 Co\n0.500000 0.744927 0.126823 Co\n0.500000 0.739023 0.621807 Co\n0.750011 0.244470 0.372076 Co\n0.748578 0.261993 0.875756 Co\n0.000000 0.258060 0.053274 W\n0.000000 0.225980 0.555450 W\n0.250812 0.752919 0.442022 W\n0.250202 0.768254 0.946712 W\n0.500000 0.237222 0.053758 W\n0.500000 0.229068 0.554068 W\n0.749188 0.752919 0.442022 W\n0.749798 0.768254 0.946712 W\n0.874743 0.754378 0.513958 O\n0.874185 0.744402 0.020338 O\n0.872331 0.260919 0.273264 O\n0.867376 0.301681 0.777962 O\n0.000000 0.044743 0.123764 O\n0.000000 0.461404 0.122807 O\n0.000000 0.029711 0.637949 O\n0.000000 0.440910 0.615954 O\n0.127669 0.260919 0.273264 O\n0.132624 0.301681 0.777962 O\n0.125257 0.754378 0.513958 O\n0.125815 0.744402 0.020338 O\n0.123639 0.268831 0.979846 O\n0.124360 0.219010 0.482507 O\n0.119759 0.700962 0.723809 O\n0.116798 0.757935 0.232120 O\n0.250308 0.538499 0.380250 O\n0.254393 0.958931 0.367047 O\n0.261104 0.561405 0.880725 O\n0.241744 0.970571 0.868503 O\n0.381144 0.702159 0.228544 O\n0.383650 0.702001 0.721947 O\n0.377270 0.238380 0.979407 O\n0.375252 0.235875 0.480519 O\n0.373145 0.748162 0.517753 O\n0.374793 0.774190 0.019178 O\n0.363741 0.287175 0.266167 O\n0.367506 0.294869 0.775779 O\n0.500000 0.035005 0.133957 O\n0.500000 0.455499 0.110978 O\n0.500000 0.030187 0.634295 O\n0.500000 0.438041 0.618331 O\n0.636259 0.287175 0.266167 O\n0.632494 0.294869 0.775779 O\n0.626855 0.748162 0.517753 O\n0.625207 0.774190 0.019178 O\n0.622730 0.238380 0.979407 O\n0.624748 0.235875 0.480519 O\n0.618856 0.702159 0.228544 O\n0.616350 0.702001 0.721947 O\n0.749692 0.538499 0.380250 O\n0.745607 0.958931 0.367047 O\n0.738896 0.561405 0.880725 O\n0.758256 0.970571 0.868503 O\n0.883202 0.757935 0.232120 O\n0.880241 0.700962 0.723809 O\n0.876361 0.268831 0.979846 O\n0.875640 0.219010 0.482507 O\n",
"nsites": 80,
"nelements": 5,
"elements": [
"Na",
"La",
"Co",
"W",
"O"
],
"chemical_system": "Co-La-Na-O-W",
"density": 5.353077166023302,
"density_atomic": 0.06438835323921688,
"volume": 1242.4607242676702,
"volume_molar": 9.352841712889322,
"formula_full": "Na8 La8 Co8 W8 O48",
"formula_reduced": "NaLaCoWO6",
"formula_anonymous": "ABCDE6",
"energy": -630.10504264,
"energy_per_atom": -7.876313033,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -548.52104264,
"band_gap": 2.2846999999999995,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 23.9998726,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:10.026000Z",
"spacegroup": 6
},
{
"id": "mp-1521548",
"created_at": "2022-09-04T14:45:53.978164Z",
"structure_string": "Na1 Ca1 Nb1 W1 O6\n1.0\n0.000000 -4.024332 -4.024332\n4.024332 -0.000000 -4.024332\n4.024332 -4.024332 -0.000000\nNa Ca Nb W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Ca\n-0.000000 -0.000000 -0.000000 Nb\n0.500000 0.500000 0.500000 W\n0.750838 0.249162 0.249162 O\n0.249162 0.750838 0.750838 O\n0.750838 0.249162 0.750838 O\n0.249162 0.750838 0.249162 O\n0.750838 0.750838 0.249162 O\n0.249162 0.249162 0.750838 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"Ca",
"Nb",
"W",
"O"
],
"chemical_system": "Ca-Na-Nb-O-W",
"density": 5.551820732303402,
"density_atomic": 0.0767164677197632,
"volume": 130.35010992071346,
"volume_molar": 7.849867100240089,
"formula_full": "Na1 Ca1 Nb1 W1 O6",
"formula_reduced": "NaCaNbWO6",
"formula_anonymous": "ABCDE6",
"energy": -82.20129771,
"energy_per_atom": -8.220129771,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -73.64129771,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:09.761000Z",
"spacegroup": 216
},
{
"id": "mp-1519609",
"created_at": "2022-09-04T14:45:00.091791Z",
"structure_string": "Na1 Sr1 Ce1 Sb1 O6\n1.0\n-0.000000 -4.209981 -4.209981\n4.209981 0.000000 -4.209981\n4.209981 -4.209981 -0.000000\nNa Sr Ce Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Sb\n0.737485 0.262515 0.262515 O\n0.262515 0.737485 0.737485 O\n0.737485 0.262515 0.737485 O\n0.262515 0.737485 0.262515 O\n0.737485 0.737485 0.262515 O\n0.262515 0.262515 0.737485 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"Sr",
"Ce",
"Sb",
"O"
],
"chemical_system": "Ce-Na-O-Sb-Sr",
"density": 5.212808374417071,
"density_atomic": 0.06700845380036762,
"volume": 149.23490146171883,
"volume_molar": 8.987135829072006,
"formula_full": "Na1 Sr1 Ce1 Sb1 O6",
"formula_reduced": "NaSrCeSbO6",
"formula_anonymous": "ABCDE6",
"energy": -70.7698807,
"energy_per_atom": -7.0769880700000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.6478807,
"band_gap": 1.9744,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:46.395000Z",
"spacegroup": 216
},
{
"id": "mp-1516970",
"created_at": "2022-09-04T14:47:04.654159Z",
"structure_string": "K1 Pr1 Zr1 Nb1 O6\n1.0\n-0.000000 -4.124378 -4.124378\n4.124378 -0.000000 -4.124378\n4.124378 -4.124378 -0.000000\nK Pr Zr Nb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 Pr\n0.500000 0.500000 0.500000 Zr\n-0.000000 0.000000 -0.000000 Nb\n0.754535 0.245465 0.245465 O\n0.245465 0.754535 0.754535 O\n0.754535 0.245465 0.754535 O\n0.245465 0.754535 0.245465 O\n0.754535 0.754535 0.245465 O\n0.245465 0.245465 0.754535 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Pr",
"Zr",
"Nb",
"O"
],
"chemical_system": "K-Nb-O-Pr-Zr",
"density": 5.445363092051178,
"density_atomic": 0.0712680079093124,
"volume": 140.31541351239773,
"volume_molar": 8.449991709692652,
"formula_full": "K1 Pr1 Zr1 Nb1 O6",
"formula_reduced": "KPrZrNbO6",
"formula_anonymous": "ABCDE6",
"energy": -85.92125992,
"energy_per_atom": -8.592125992,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -81.79925992,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001966,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:55.346000Z",
"spacegroup": 216
},
{
"id": "mp-1522306",
"created_at": "2022-09-04T14:45:22.881536Z",
"structure_string": "Ba1 Sr1 Nd1 Nb1 O6\n1.0\n0.000000 -4.332691 -4.332691\n4.332691 -0.000000 -4.332691\n4.332691 -4.332691 0.000000\nBa Sr Nd Nb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 -0.000000 Nb\n0.767319 0.232681 0.232681 O\n0.232681 0.767319 0.767319 O\n0.767319 0.232681 0.767319 O\n0.232681 0.767319 0.232681 O\n0.767319 0.767319 0.232681 O\n0.232681 0.232681 0.767319 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Nd",
"Nb",
"O"
],
"chemical_system": "Ba-Nb-Nd-O-Sr",
"density": 5.697070276013379,
"density_atomic": 0.0614747616129034,
"volume": 162.66838191205,
"volume_molar": 9.79611893075803,
"formula_full": "Ba1 Sr1 Nd1 Nb1 O6",
"formula_reduced": "BaSrNdNbO6",
"formula_anonymous": "ABCDE6",
"energy": -81.33646479999999,
"energy_per_atom": -8.13364648,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.2144648,
"band_gap": 2.869800000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:09.623000Z",
"spacegroup": 216
},
{
"id": "mp-1520399",
"created_at": "2022-09-04T14:48:23.963214Z",
"structure_string": "Ba1 Na1 Dy1 W1 O6\n1.0\n-0.000000 -4.201549 -4.201549\n4.201549 0.000000 -4.201549\n4.201549 -4.201549 -0.000000\nBa Na Dy W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Na\n-0.000000 0.000000 -0.000000 Dy\n0.500000 0.500000 0.500000 W\n0.732782 0.267218 0.267218 O\n0.267218 0.732782 0.732782 O\n0.732782 0.267218 0.732782 O\n0.267218 0.732782 0.267218 O\n0.732782 0.732782 0.267218 O\n0.267218 0.267218 0.732782 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Na",
"Dy",
"W",
"O"
],
"chemical_system": "Ba-Dy-Na-O-W",
"density": 6.7461850239770795,
"density_atomic": 0.06741269753873647,
"volume": 148.34000663233854,
"volume_molar": 8.933244002792764,
"formula_full": "Ba1 Na1 Dy1 W1 O6",
"formula_reduced": "BaNaDyWO6",
"formula_anonymous": "ABCDE6",
"energy": -79.79713326,
"energy_per_atom": -7.979713326,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -71.23713326,
"band_gap": 2.8635,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:49.123000Z",
"spacegroup": 216
},
{
"id": "mp-1516730",
"created_at": "2022-09-04T14:47:00.666353Z",
"structure_string": "Ba1 Na1 Nb1 Bi1 O6\n1.0\n-0.000000 -4.242591 -4.242591\n4.242591 0.000000 -4.242591\n4.242591 -4.242591 -0.000000\nBa Na Nb Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Na\n0.500000 0.500000 0.500000 Nb\n0.000000 0.000000 -0.000000 Bi\n0.736872 0.263128 0.263128 O\n0.263128 0.736872 0.736872 O\n0.736872 0.263128 0.736872 O\n0.263128 0.736872 0.263128 O\n0.736872 0.736872 0.263128 O\n0.263128 0.263128 0.736872 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Na",
"Nb",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-Na-Nb-O",
"density": 6.068975656400001,
"density_atomic": 0.06547515049334311,
"volume": 152.72969859025685,
"volume_molar": 9.197597431429005,
"formula_full": "Ba1 Na1 Nb1 Bi1 O6",
"formula_reduced": "BaNaNbBiO6",
"formula_anonymous": "ABCDE6",
"energy": -71.46340309,
"energy_per_atom": -7.146340309,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.34140309,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.5e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:49.120000Z",
"spacegroup": 216
}
]
}