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=105",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=103",
"results": [
{
"id": "mp-1519083",
"created_at": "2022-09-04T14:42:21.919152Z",
"structure_string": "Ba4 Ce4 Nb4 In4 O24\n1.0\n8.570967 0.000000 0.000000\n0.000000 8.598259 0.000000\n0.000000 0.000000 8.592250\nBa Ce Nb In 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\n0.000000 0.500000 -0.000000 Ba\n0.750000 0.750000 0.750000 Ce\n0.250000 0.250000 0.750000 Ce\n0.250000 0.750000 0.250000 Ce\n0.750000 0.250000 0.250000 Ce\n0.250000 0.250000 0.250000 Nb\n0.750000 0.750000 0.250000 Nb\n0.750000 0.250000 0.750000 Nb\n0.250000 0.750000 0.750000 Nb\n0.000000 0.500000 0.500000 In\n0.500000 0.500000 -0.000000 In\n0.500000 0.000000 -0.000000 In\n-0.000000 0.000000 0.500000 In\n0.014004 0.232598 0.250372 O\n0.985996 0.767402 0.250372 O\n0.985996 0.232598 0.749628 O\n0.014004 0.767402 0.749628 O\n0.267046 0.014457 0.247897 O\n0.267046 0.985543 0.752103 O\n0.732954 0.985543 0.247897 O\n0.732954 0.014457 0.752103 O\n0.230770 0.250883 0.013323 O\n0.769230 0.250883 0.986677 O\n0.230770 0.749117 0.986677 O\n0.769230 0.749117 0.013323 O\n0.485996 0.267402 0.249628 O\n0.514004 0.732598 0.249628 O\n0.514004 0.267402 0.750372 O\n0.485996 0.732598 0.750372 O\n0.232954 0.485543 0.252103 O\n0.232954 0.514457 0.747897 O\n0.767046 0.514457 0.252103 O\n0.767046 0.485543 0.747897 O\n0.269230 0.249117 0.486677 O\n0.730770 0.249117 0.513323 O\n0.269230 0.750883 0.513323 O\n0.730770 0.750883 0.486677 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Ba",
"Ce",
"Nb",
"In",
"O"
],
"chemical_system": "Ba-Ce-In-Nb-O",
"density": 6.096216441829306,
"density_atomic": 0.06317027108745388,
"volume": 633.2092503548607,
"volume_molar": 9.533188090427627,
"formula_full": "Ba4 Ce4 Nb4 In4 O24",
"formula_reduced": "BaCeNbInO6",
"formula_anonymous": "ABCDE6",
"energy": -321.61435692,
"energy_per_atom": -8.040358923,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -305.12635692,
"band_gap": 0.4042000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:46.469000Z",
"spacegroup": 48
},
{
"id": "mp-1521089",
"created_at": "2022-09-04T14:43:21.206552Z",
"structure_string": "Sr1 Ca1 Zr1 Nb1 O6\n1.0\n-0.000000 -4.125134 -4.125134\n4.125134 0.000000 -4.125134\n4.125134 -4.125134 0.000000\nSr Ca Zr Nb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Nb\n0.754152 0.245848 0.245848 O\n0.245848 0.754152 0.754152 O\n0.754152 0.245848 0.754152 O\n0.245848 0.754152 0.245848 O\n0.754152 0.754152 0.245848 O\n0.245848 0.245848 0.754152 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Zr",
"Nb",
"O"
],
"chemical_system": "Ca-Nb-O-Sr-Zr",
"density": 4.8236804574181,
"density_atomic": 0.0712288319161765,
"volume": 140.39258725691582,
"volume_molar": 8.454639221217294,
"formula_full": "Sr1 Ca1 Zr1 Nb1 O6",
"formula_reduced": "SrCaZrNbO6",
"formula_anonymous": "ABCDE6",
"energy": -85.14410683,
"energy_per_atom": -8.514410683,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -81.02210682999998,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008217,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:15.428000Z",
"spacegroup": 216
},
{
"id": "mp-1520921",
"created_at": "2022-09-04T14:42:26.685174Z",
"structure_string": "Ba2 Tb2 Eu2 Sb2 O12\n1.0\n5.967488 0.010469 0.009557\n0.012507 5.991540 -0.011483\n0.015448 -0.014540 8.452695\nBa Tb Eu Sb O\n2 2 2 2 12\ndirect\n0.995332 0.019367 0.249816 Ba\n0.004668 0.980633 0.750184 Ba\n0.500000 -0.000000 -0.000000 Tb\n0.000000 0.500000 0.500000 Tb\n0.504632 0.528682 0.251139 Eu\n0.495368 0.471318 0.748861 Eu\n0.000000 0.500000 -0.000000 Sb\n0.500000 -0.000000 0.500000 Sb\n0.210321 0.238982 0.967643 O\n0.299089 0.730138 0.534619 O\n0.789679 0.761018 0.032357 O\n0.700911 0.269862 0.465381 O\n0.266913 0.703871 0.962818 O\n0.239570 0.212262 0.528829 O\n0.733087 0.296129 0.037182 O\n0.760430 0.787738 0.471171 O\n0.447767 0.977025 0.264267 O\n0.074261 0.497120 0.235040 O\n0.552233 0.022975 0.735733 O\n0.925739 0.502880 0.764960 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Ba",
"Tb",
"Eu",
"Sb",
"O"
],
"chemical_system": "Ba-Eu-O-Sb-Tb",
"density": 7.318374588600533,
"density_atomic": 0.0661773051858202,
"volume": 302.218410735247,
"volume_molar": 9.100009048555762,
"formula_full": "Ba2 Tb2 Eu2 Sb2 O12",
"formula_reduced": "BaTbEuSbO6",
"formula_anonymous": "ABCDE6",
"energy": -162.3257392,
"energy_per_atom": -8.11628696,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -154.0817392,
"band_gap": 0.0097000000000004,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 13.9999704,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:46.243000Z",
"spacegroup": 2
},
{
"id": "mp-1518940",
"created_at": "2022-09-04T14:39:14.722836Z",
"structure_string": "Ba4 Sr4 Y4 Nb4 O24\n1.0\n8.457821 0.000000 0.000000\n0.000000 8.464072 0.000000\n0.000000 0.000000 8.467032\nBa Sr Y Nb 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 0.000000 Ba\n0.000000 -0.000000 0.500000 Ba\n-0.000000 0.500000 0.500000 Sr\n0.500000 -0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.500000 -0.000000 Sr\n0.250609 0.252718 0.250202 Y\n0.749391 0.747282 0.250202 Y\n0.749391 0.252718 0.749798 Y\n0.250609 0.747282 0.749798 Y\n0.750669 0.746315 0.749139 Nb\n0.249331 0.253685 0.749139 Nb\n0.249331 0.746315 0.250861 Nb\n0.750669 0.253685 0.250861 Nb\n0.986600 0.229647 0.272652 O\n0.013400 0.770353 0.272652 O\n0.013400 0.229647 0.727348 O\n0.986600 0.770353 0.727348 O\n0.270267 0.985181 0.227878 O\n0.270267 0.014819 0.772122 O\n0.729733 0.014819 0.227878 O\n0.729733 0.985181 0.772122 O\n0.219785 0.281964 0.986211 O\n0.780215 0.281964 0.013789 O\n0.219785 0.718036 0.013789 O\n0.780215 0.718036 0.986211 O\n0.514620 0.286490 0.216924 O\n0.485380 0.713510 0.216924 O\n0.485380 0.286490 0.783076 O\n0.514620 0.713510 0.783076 O\n0.217653 0.513200 0.287210 O\n0.217653 0.486800 0.712790 O\n0.782347 0.486800 0.287210 O\n0.782347 0.513200 0.712790 O\n0.285993 0.221309 0.514419 O\n0.714007 0.221309 0.485581 O\n0.285993 0.778691 0.485581 O\n0.714007 0.778691 0.514419 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Y",
"Nb",
"O"
],
"chemical_system": "Ba-Nb-O-Sr-Y",
"density": 5.509307229175798,
"density_atomic": 0.06599194848528654,
"volume": 606.1345500189062,
"volume_molar": 9.125568949282785,
"formula_full": "Ba4 Sr4 Y4 Nb4 O24",
"formula_reduced": "BaSrYNbO6",
"formula_anonymous": "ABCDE6",
"energy": -337.20557988,
"energy_per_atom": -8.430139497,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -320.71757988,
"band_gap": 2.9738,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.301000Z",
"spacegroup": 16
},
{
"id": "mp-1518441",
"created_at": "2022-09-04T14:43:20.512760Z",
"structure_string": "Ca4 Sm4 Eu4 Sb4 O24\n1.0\n8.444690 0.000000 0.000000\n0.000000 8.423091 0.000000\n0.000000 0.000000 8.436423\nCa Sm Eu Sb O\n4 4 4 4 24\ndirect\n-0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.500000 0.000000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.251277 0.249970 0.249951 Sm\n0.748723 0.750030 0.249951 Sm\n0.748723 0.249970 0.750049 Sm\n0.251277 0.750030 0.750049 Sm\n-0.000000 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\n0.748096 0.749984 0.750093 Sb\n0.251904 0.250016 0.750093 Sb\n0.251904 0.749984 0.249907 Sb\n0.748096 0.250016 0.249907 Sb\n0.981992 0.203688 0.287638 O\n0.018008 0.796312 0.287638 O\n0.018008 0.203688 0.712362 O\n0.981992 0.796312 0.712362 O\n0.287698 0.983035 0.202176 O\n0.287698 0.016965 0.797824 O\n0.712302 0.016965 0.202176 O\n0.712302 0.983035 0.797824 O\n0.202257 0.286385 0.982944 O\n0.797743 0.286385 0.017056 O\n0.202257 0.713615 0.017056 O\n0.797743 0.713615 0.982944 O\n0.516907 0.302636 0.206640 O\n0.483093 0.697364 0.206640 O\n0.483093 0.302636 0.793360 O\n0.516907 0.697364 0.793360 O\n0.212671 0.517500 0.298639 O\n0.212671 0.482500 0.701361 O\n0.787329 0.482500 0.298639 O\n0.787329 0.517500 0.701361 O\n0.303334 0.207563 0.517706 O\n0.696666 0.207563 0.482294 O\n0.303334 0.792437 0.482294 O\n0.696666 0.792437 0.517706 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Ca",
"Sm",
"Eu",
"Sb",
"O"
],
"chemical_system": "Ca-Eu-O-Sb-Sm",
"density": 6.200209876057282,
"density_atomic": 0.06665710382645784,
"volume": 600.0860779091188,
"volume_molar": 9.0345070732126,
"formula_full": "Ca4 Sm4 Eu4 Sb4 O24",
"formula_reduced": "CaSmEuSbO6",
"formula_anonymous": "ABCDE6",
"energy": -322.07716793,
"energy_per_atom": -8.051929198249999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -305.58916793,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 27.984231,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:09.655000Z",
"spacegroup": 16
},
{
"id": "mp-1521926",
"created_at": "2022-09-04T14:41:50.707677Z",
"structure_string": "Ba1 Sr1 Sm1 Nb1 O6\n1.0\n0.000000 -4.303971 -4.303971\n4.303971 0.000000 -4.303971\n4.303971 -4.303971 -0.000000\nBa Sr Sm 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 Sm\n0.000000 -0.000000 0.000000 Nb\n0.765724 0.234276 0.234276 O\n0.234276 0.765724 0.765724 O\n0.765724 0.234276 0.765724 O\n0.234276 0.765724 0.234276 O\n0.765724 0.765724 0.234276 O\n0.234276 0.234276 0.765724 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Sm",
"Nb",
"O"
],
"chemical_system": "Ba-Nb-O-Sm-Sr",
"density": 5.875592969692266,
"density_atomic": 0.06271363804466677,
"volume": 159.4549497013339,
"volume_molar": 9.602601519801526,
"formula_full": "Ba1 Sr1 Sm1 Nb1 O6",
"formula_reduced": "BaSrSmNbO6",
"formula_anonymous": "ABCDE6",
"energy": -81.70939667,
"energy_per_atom": -8.170939667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.58739667,
"band_gap": 2.8688,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:37.970000Z",
"spacegroup": 216
},
{
"id": "mp-1516329",
"created_at": "2022-09-04T14:40:36.945476Z",
"structure_string": "Na1 Ca1 Zr1 Sb1 O6\n1.0\n0.000000 -4.061861 -4.061861\n4.061861 0.000000 -4.061861\n4.061861 -4.061861 0.000000\nNa Ca Zr Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Ca\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Sb\n0.756136 0.243864 0.243864 O\n0.243864 0.756136 0.756136 O\n0.756136 0.243864 0.756136 O\n0.243864 0.756136 0.243864 O\n0.756136 0.756136 0.243864 O\n0.243864 0.243864 0.756136 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"Ca",
"Zr",
"Sb",
"O"
],
"chemical_system": "Ca-Na-O-Sb-Zr",
"density": 4.609386243665258,
"density_atomic": 0.07460962068398688,
"volume": 134.03097225699008,
"volume_molar": 8.071533811312491,
"formula_full": "Na1 Ca1 Zr1 Sb1 O6",
"formula_reduced": "NaCaZrSbO6",
"formula_anonymous": "ABCDE6",
"energy": -73.50542081,
"energy_per_atom": -7.350542081,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.38342081,
"band_gap": 3.3831,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004537,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.157000Z",
"spacegroup": 216
},
{
"id": "mp-1522023",
"created_at": "2022-09-04T14:41:00.928817Z",
"structure_string": "Sr2 Ca2 Eu2 Bi2 O12\n1.0\n5.983156 -0.000000 0.000000\n-0.000000 5.983156 0.000000\n0.000000 0.000000 8.689182\nSr Ca Eu Bi O\n2 2 2 2 12\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.500000 Sr\n0.500000 0.500000 -0.000000 Ca\n0.000000 -0.000000 -0.000000 Ca\n0.500000 0.000000 0.247066 Eu\n0.000000 0.500000 0.752934 Eu\n0.500000 -0.000000 0.754467 Bi\n0.000000 0.500000 0.245533 Bi\n0.500000 -0.000000 0.995102 O\n0.000000 0.500000 0.004898 O\n0.500000 -0.000000 0.508301 O\n0.000000 0.500000 0.491699 O\n0.660018 0.680545 0.758879 O\n0.339982 0.319455 0.758879 O\n0.819455 0.160018 0.758879 O\n0.180545 0.839982 0.758879 O\n0.839982 0.180545 0.241121 O\n0.160018 0.819455 0.241121 O\n0.680545 0.660018 0.241121 O\n0.319455 0.339982 0.241121 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Eu",
"Bi",
"O"
],
"chemical_system": "Bi-Ca-Eu-O-Sr",
"density": 6.242049102088723,
"density_atomic": 0.06429696136589014,
"volume": 311.0566903183406,
"volume_molar": 9.366135867183882,
"formula_full": "Sr2 Ca2 Eu2 Bi2 O12",
"formula_reduced": "SrCaEuBiO6",
"formula_anonymous": "ABCDE6",
"energy": -145.90904174,
"energy_per_atom": -7.295452086999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -137.66504174,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.9999479,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.144000Z",
"spacegroup": 90
},
{
"id": "mp-1518586",
"created_at": "2022-09-04T14:42:58.881712Z",
"structure_string": "Na1 Ca1 Zr1 Bi1 O6\n1.0\n0.000000 -4.171986 -4.171986\n4.171986 0.000000 -4.171986\n4.171986 -4.171986 0.000000\nNa Ca Zr Bi O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Bi\n0.749215 0.250785 0.250785 O\n0.250785 0.749215 0.749215 O\n0.749215 0.250785 0.749215 O\n0.250785 0.749215 0.250785 O\n0.749215 0.749215 0.250785 O\n0.250785 0.250785 0.749215 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"Ca",
"Zr",
"Bi",
"O"
],
"chemical_system": "Bi-Ca-Na-O-Zr",
"density": 5.2511847663557765,
"density_atomic": 0.06885595040885738,
"volume": 145.2307308318503,
"volume_molar": 8.745999037470744,
"formula_full": "Na1 Ca1 Zr1 Bi1 O6",
"formula_reduced": "NaCaZrBiO6",
"formula_anonymous": "ABCDE6",
"energy": -70.17659866,
"energy_per_atom": -7.017659866,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.05459866,
"band_gap": 1.3637,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:58.141000Z",
"spacegroup": 216
},
{
"id": "mp-1519580",
"created_at": "2022-09-04T14:41:35.343926Z",
"structure_string": "Sr1 Eu1 Ti1 In1 O6\n1.0\n-0.000000 -4.067275 -4.067275\n4.067275 0.000000 -4.067275\n4.067275 -4.067275 -0.000000\nSr Eu Ti In O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 Ti\n-0.000000 0.000000 0.000000 In\n0.739588 0.260412 0.260412 O\n0.260412 0.739588 0.739588 O\n0.739588 0.260412 0.739588 O\n0.260412 0.739588 0.260412 O\n0.739588 0.739588 0.260412 O\n0.260412 0.260412 0.739588 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Eu",
"Ti",
"In",
"O"
],
"chemical_system": "Eu-In-O-Sr-Ti",
"density": 6.148500608878532,
"density_atomic": 0.07431207573796618,
"volume": 134.56763117829288,
"volume_molar": 8.103852166954443,
"formula_full": "Sr1 Eu1 Ti1 In1 O6",
"formula_reduced": "SrEuTiInO6",
"formula_anonymous": "ABCDE6",
"energy": -81.43656965,
"energy_per_atom": -8.143656965,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.31456965,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9939373,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:29.566000Z",
"spacegroup": 216
},
{
"id": "mp-1521516",
"created_at": "2022-09-04T14:48:14.467846Z",
"structure_string": "Ba4 Sr4 Eu4 Se4 O24\n1.0\n8.413014 0.000000 0.000000\n0.000000 8.428796 0.000000\n0.000000 0.000000 8.455418\nBa Sr Eu Se 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 0.000000 Ba\n-0.000000 0.000000 0.500000 Ba\n0.250892 0.251146 0.250305 Sr\n0.749108 0.748854 0.250305 Sr\n0.749108 0.251146 0.749695 Sr\n0.250892 0.748854 0.749695 Sr\n-0.000000 0.500000 0.500000 Eu\n0.500000 0.000000 0.500000 Eu\n0.500000 0.500000 0.000000 Eu\n-0.000000 0.500000 0.000000 Eu\n0.751581 0.745539 0.748995 Se\n0.248419 0.254461 0.748995 Se\n0.248419 0.745539 0.251005 Se\n0.751581 0.254461 0.251005 Se\n0.967839 0.225710 0.278443 O\n0.032161 0.774290 0.278443 O\n0.032161 0.225710 0.721557 O\n0.967839 0.774290 0.721557 O\n0.274564 0.963893 0.221186 O\n0.274564 0.036107 0.778814 O\n0.725436 0.036107 0.221186 O\n0.725436 0.963893 0.778814 O\n0.213543 0.288468 0.966057 O\n0.786457 0.288468 0.033943 O\n0.213543 0.711532 0.033943 O\n0.786457 0.711532 0.966057 O\n0.535281 0.292310 0.213301 O\n0.464719 0.707690 0.213301 O\n0.464719 0.292310 0.786699 O\n0.535281 0.707690 0.786699 O\n0.214678 0.531339 0.291905 O\n0.214678 0.468661 0.708095 O\n0.785322 0.468661 0.291905 O\n0.785322 0.531339 0.708095 O\n0.291415 0.218461 0.534727 O\n0.708585 0.218461 0.465273 O\n0.291415 0.781539 0.465273 O\n0.708585 0.781539 0.534727 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Eu",
"Se",
"O"
],
"chemical_system": "Ba-Eu-O-Se-Sr",
"density": 6.113523589364307,
"density_atomic": 0.06671258278248597,
"volume": 599.5870393808406,
"volume_molar": 9.026993872557714,
"formula_full": "Ba4 Sr4 Eu4 Se4 O24",
"formula_reduced": "BaSrEuSeO6",
"formula_anonymous": "ABCDE6",
"energy": -286.72674623,
"energy_per_atom": -7.16816865575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -270.23874623,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 27.9143194,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:39.105000Z",
"spacegroup": 16
},
{
"id": "mp-1517318",
"created_at": "2022-09-04T14:46:02.212732Z",
"structure_string": "Ba1 Pr1 Eu1 Sb1 O6\n1.0\n0.000000 -4.328361 -4.328361\n4.328361 0.000000 -4.328361\n4.328361 -4.328361 0.000000\nBa Pr Eu Sb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Pr\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 Sb\n0.731649 0.268351 0.268351 O\n0.268351 0.731649 0.731649 O\n0.731649 0.268351 0.731649 O\n0.268351 0.731649 0.268351 O\n0.731649 0.731649 0.268351 O\n0.268351 0.268351 0.731649 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Pr",
"Eu",
"Sb",
"O"
],
"chemical_system": "Ba-Eu-O-Pr-Sb",
"density": 6.6342763045202675,
"density_atomic": 0.061659440358340326,
"volume": 162.1811670992138,
"volume_molar": 9.766778168925466,
"formula_full": "Ba1 Pr1 Eu1 Sb1 O6",
"formula_reduced": "BaPrEuSbO6",
"formula_anonymous": "ABCDE6",
"energy": -79.98468769,
"energy_per_atom": -7.9984687690000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -75.86268769,
"band_gap": 0.6932,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.9999999,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:15.399000Z",
"spacegroup": 216
}
]
}