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=39",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=37",
"results": [
{
"id": "mp-1519131",
"created_at": "2022-09-04T14:44:23.242598Z",
"structure_string": "Ba1 Na1 Ce1 Mn1 O6\n1.0\n0.000000 -4.151809 -4.151809\n4.151809 0.000000 -4.151809\n4.151809 -4.151809 0.000000\nBa Na Ce Mn O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Mn\n0.732363 0.267637 0.267637 O\n0.267637 0.732363 0.732363 O\n0.732363 0.267637 0.732363 O\n0.267637 0.732363 0.267637 O\n0.732363 0.732363 0.267637 O\n0.267637 0.267637 0.732363 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Na",
"Ce",
"Mn",
"O"
],
"chemical_system": "Ba-Ce-Mn-Na-O",
"density": 5.23645063938441,
"density_atomic": 0.06986471734409248,
"volume": 143.13376451161676,
"volume_molar": 8.619716773976489,
"formula_full": "Ba1 Na1 Ce1 Mn1 O6",
"formula_reduced": "BaNaCeMnO6",
"formula_anonymous": "ABCDE6",
"energy": -73.88317489,
"energy_per_atom": -7.388317489,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.09317489,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0000004,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:39.232000Z",
"spacegroup": 216
},
{
"id": "mp-1522191",
"created_at": "2022-09-04T14:40:34.808584Z",
"structure_string": "K1 Tb1 Pr1 Nb1 O6\n1.0\n0.000000 -4.220808 -4.220808\n4.220808 0.000000 -4.220808\n4.220808 -4.220808 -0.000000\nK Tb Pr Nb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 Tb\n0.250000 0.250000 0.250000 Pr\n-0.000000 0.000000 0.000000 Nb\n0.762830 0.237170 0.237170 O\n0.237170 0.762830 0.762830 O\n0.762830 0.237170 0.762830 O\n0.237170 0.762830 0.237170 O\n0.762830 0.762830 0.237170 O\n0.237170 0.237170 0.762830 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Tb",
"Pr",
"Nb",
"O"
],
"chemical_system": "K-Nb-O-Pr-Tb",
"density": 5.828136812911709,
"density_atomic": 0.06649411547663078,
"volume": 150.38924765477148,
"volume_molar": 9.056652181675338,
"formula_full": "K1 Tb1 Pr1 Nb1 O6",
"formula_reduced": "KTbPrNbO6",
"formula_anonymous": "ABCDE6",
"energy": -81.93309398,
"energy_per_atom": -8.193309398,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.81109398,
"band_gap": 2.3999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.930000Z",
"spacegroup": 216
},
{
"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-1519954",
"created_at": "2022-09-04T14:44:28.299715Z",
"structure_string": "Ba1 Ca1 Sm1 Fe1 O6\n1.0\n0.000000 -4.139655 -4.139655\n4.139655 0.000000 -4.139655\n4.139655 -4.139655 0.000000\nBa Ca Sm Fe O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ca\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 0.000000 Fe\n0.771838 0.228162 0.228162 O\n0.228162 0.771838 0.771838 O\n0.771838 0.228162 0.771838 O\n0.228162 0.771838 0.228162 O\n0.771838 0.771838 0.228162 O\n0.228162 0.228162 0.771838 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Ca",
"Sm",
"Fe",
"O"
],
"chemical_system": "Ba-Ca-Fe-O-Sm",
"density": 5.613214344756745,
"density_atomic": 0.07048189288520353,
"volume": 141.88041198449892,
"volume_molar": 8.544238120574434,
"formula_full": "Ba1 Ca1 Sm1 Fe1 O6",
"formula_reduced": "BaCaSmFeO6",
"formula_anonymous": "ABCDE6",
"energy": -72.45801806,
"energy_per_atom": -7.245801806,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.08001806,
"band_gap": 0.1972,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0000003,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:37.789000Z",
"spacegroup": 216
},
{
"id": "mp-1522943",
"created_at": "2022-09-04T14:42:23.911932Z",
"structure_string": "Na1 Nd1 Eu1 W1 O6\n1.0\n-0.000000 -4.063613 -4.063613\n4.063613 0.000000 -4.063613\n4.063613 -4.063613 0.000000\nNa Nd Eu W O\n1 1 1 1 6\ndirect\n-0.000000 -0.000000 0.000000 Na\n0.750000 0.750000 0.750000 Nd\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 W\n0.737810 0.262190 0.262190 O\n0.262190 0.737810 0.737810 O\n0.737810 0.262190 0.737810 O\n0.262190 0.737810 0.262190 O\n0.737810 0.737810 0.262190 O\n0.262190 0.262190 0.737810 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"Nd",
"Eu",
"W",
"O"
],
"chemical_system": "Eu-Na-Nd-O-W",
"density": 7.411945619403604,
"density_atomic": 0.07451315994362798,
"volume": 134.20448156493939,
"volume_molar": 8.0819827860689,
"formula_full": "Na1 Nd1 Eu1 W1 O6",
"formula_reduced": "NaNdEuWO6",
"formula_anonymous": "ABCDE6",
"energy": -85.86248859,
"energy_per_atom": -8.586248859,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.30248859,
"band_gap": 0.3437000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:46.094000Z",
"spacegroup": 216
},
{
"id": "mp-1520716",
"created_at": "2022-09-04T14:41:00.561943Z",
"structure_string": "Ba4 Sr4 La4 Bi4 O24\n1.0\n8.843690 0.000000 0.000000\n0.000000 8.824918 0.000000\n0.000000 0.000000 8.791290\nBa Sr La Bi 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 Sr\n0.750000 0.750000 0.250000 Sr\n0.750000 0.250000 0.750000 Sr\n0.250000 0.750000 0.750000 Sr\n-0.000000 0.500000 0.500000 La\n0.500000 0.500000 -0.000000 La\n0.500000 0.000000 -0.000000 La\n-0.000000 -0.000000 0.500000 La\n0.750000 0.750000 0.750000 Bi\n0.250000 0.250000 0.750000 Bi\n0.250000 0.750000 0.250000 Bi\n0.750000 0.250000 0.250000 Bi\n0.981531 0.184391 0.298532 O\n0.018469 0.815609 0.298532 O\n0.018469 0.184391 0.701468 O\n0.981531 0.815609 0.701468 O\n0.309590 0.980987 0.194371 O\n0.309590 0.019013 0.805629 O\n0.690410 0.019013 0.194371 O\n0.690410 0.980987 0.805629 O\n0.209334 0.286147 0.982269 O\n0.790666 0.286147 0.017731 O\n0.209334 0.713853 0.017731 O\n0.790666 0.713853 0.982269 O\n0.518469 0.315609 0.201468 O\n0.481531 0.684391 0.201468 O\n0.481531 0.315609 0.798532 O\n0.518469 0.684391 0.798532 O\n0.190410 0.519013 0.305629 O\n0.190410 0.480987 0.694371 O\n0.809590 0.480987 0.305629 O\n0.809590 0.519013 0.694371 O\n0.290666 0.213853 0.517731 O\n0.709334 0.213853 0.482269 O\n0.290666 0.786147 0.482269 O\n0.709334 0.786147 0.517731 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"La",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-La-O-Sr",
"density": 6.474817976704703,
"density_atomic": 0.05829928056911895,
"volume": 686.1148132450188,
"volume_molar": 10.32969995720654,
"formula_full": "Ba4 Sr4 La4 Bi4 O24",
"formula_reduced": "BaSrLaBiO6",
"formula_anonymous": "ABCDE6",
"energy": -277.04974025,
"energy_per_atom": -6.9262435062500005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -260.56174025,
"band_gap": 1.9177,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:58.606000Z",
"spacegroup": 48
},
{
"id": "mp-1516645",
"created_at": "2022-09-04T14:39:25.686518Z",
"structure_string": "K1 Eu1 Zr1 Bi1 O6\n1.0\n0.000000 -4.221286 -4.221286\n4.221286 0.000000 -4.221286\n4.221286 -4.221286 -0.000000\nK Eu Zr Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Bi\n0.747834 0.252166 0.252166 O\n0.252166 0.747834 0.747834 O\n0.747834 0.252166 0.747834 O\n0.252166 0.747834 0.252166 O\n0.747834 0.747834 0.252166 O\n0.252166 0.252166 0.747834 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Eu",
"Zr",
"Bi",
"O"
],
"chemical_system": "Bi-Eu-K-O-Zr",
"density": 6.48212621264717,
"density_atomic": 0.06647152952422357,
"volume": 150.4403474927683,
"volume_molar": 9.059729485847637,
"formula_full": "K1 Eu1 Zr1 Bi1 O6",
"formula_reduced": "KEuZrBiO6",
"formula_anonymous": "ABCDE6",
"energy": -79.1393949,
"energy_per_atom": -7.91393949,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -75.0173949,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.8216452,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.681000Z",
"spacegroup": 216
},
{
"id": "mp-1049205",
"created_at": "2022-09-04T14:39:48.080056Z",
"structure_string": "La2 Mg2 Cr2 Mo2 O12\n1.0\n5.416797 0.008445 0.016193\n0.008731 5.555840 -0.002107\n0.019378 -0.003130 7.933090\nLa Mg Cr Mo O\n2 2 2 2 12\ndirect\n0.003921 0.959675 0.751254 La\n0.503439 0.540477 0.250080 La\n0.486846 0.451809 0.757898 Mg\n0.983195 0.050009 0.257742 Mg\n0.999666 0.501864 0.999697 Cr\n0.499714 0.999135 0.498864 Cr\n0.499439 0.005298 0.000567 Mo\n0.999497 0.494174 0.500193 Mo\n0.087388 0.437460 0.242588 O\n0.589200 0.070727 0.742102 O\n0.216183 0.222650 0.939230 O\n0.718684 0.273467 0.432533 O\n0.207247 0.202814 0.550802 O\n0.710862 0.294220 0.048877 O\n0.316550 0.692987 0.942562 O\n0.814516 0.804376 0.441089 O\n0.316172 0.687442 0.567050 O\n0.815957 0.811436 0.065745 O\n0.363977 0.963673 0.255852 O\n0.867542 0.536309 0.755280 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"La",
"Mg",
"Cr",
"Mo",
"O"
],
"chemical_system": "Cr-La-Mg-Mo-O",
"density": 5.663640301511787,
"density_atomic": 0.08377214304228207,
"volume": 238.74284784508208,
"volume_molar": 7.188715175831735,
"formula_full": "La2 Mg2 Cr2 Mo2 O12",
"formula_reduced": "LaMgCrMoO6",
"formula_anonymous": "ABCDE6",
"energy": -168.03130255000002,
"energy_per_atom": -8.401565127500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -149.38530255,
"band_gap": 1.4102000000000006,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 4.0146874,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.710000Z",
"spacegroup": 7
},
{
"id": "mp-1518811",
"created_at": "2022-09-04T14:42:24.085038Z",
"structure_string": "K1 La1 Zn1 W1 O6\n1.0\n0.000000 -4.023448 -4.023448\n4.023448 0.000000 -4.023448\n4.023448 -4.023448 0.000000\nK La Zn W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 La\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 W\n0.741334 0.258666 0.258666 O\n0.258666 0.741334 0.741334 O\n0.741334 0.258666 0.741334 O\n0.258666 0.741334 0.258666 O\n0.741334 0.741334 0.258666 O\n0.258666 0.258666 0.741334 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"La",
"Zn",
"W",
"O"
],
"chemical_system": "K-La-O-W-Zn",
"density": 6.670101943838546,
"density_atomic": 0.0767670454273757,
"volume": 130.264229192725,
"volume_molar": 7.84469524191491,
"formula_full": "K1 La1 Zn1 W1 O6",
"formula_reduced": "KLaZnWO6",
"formula_anonymous": "ABCDE6",
"energy": -75.03913102,
"energy_per_atom": -7.503913102,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.47913102,
"band_gap": 2.774,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.007000Z",
"spacegroup": 216
},
{
"id": "mp-1517517",
"created_at": "2022-09-04T14:40:42.249699Z",
"structure_string": "Ba1 Ca1 Y1 V1 O6\n1.0\n0.000000 -4.125115 -4.125115\n4.125115 0.000000 -4.125115\n4.125115 -4.125115 0.000000\nBa Ca Y V 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 Y\n-0.000000 0.000000 -0.000000 V\n0.769315 0.230685 0.230685 O\n0.230685 0.769315 0.769315 O\n0.769315 0.230685 0.769315 O\n0.230685 0.769315 0.230685 O\n0.769315 0.769315 0.230685 O\n0.230685 0.230685 0.769315 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Ca",
"Y",
"V",
"O"
],
"chemical_system": "Ba-Ca-O-V-Y",
"density": 4.887901769168091,
"density_atomic": 0.07122981614622088,
"volume": 140.3906473585718,
"volume_molar": 8.454522397808418,
"formula_full": "Ba1 Ca1 Y1 V1 O6",
"formula_reduced": "BaCaYVO6",
"formula_anonymous": "ABCDE6",
"energy": -80.05013071,
"energy_per_atom": -8.005013071,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -74.22813071,
"band_gap": 1.6203,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.058000Z",
"spacegroup": 216
},
{
"id": "mp-1518642",
"created_at": "2022-09-04T14:41:52.213605Z",
"structure_string": "K4 Sr4 Gd4 W4 O24\n1.0\n8.421467 0.000000 0.000000\n0.000000 8.399166 0.000000\n0.000000 0.000000 8.400499\nK Sr Gd W O\n4 4 4 4 24\ndirect\n-0.000000 0.500000 0.500000 K\n0.500000 0.000000 0.500000 K\n0.500000 0.000000 -0.000000 K\n-0.000000 0.500000 0.000000 K\n0.500000 0.500000 0.000000 Sr\n-0.000000 0.000000 0.500000 Sr\n-0.000000 0.000000 -0.000000 Sr\n0.500000 0.500000 0.500000 Sr\n0.750000 0.750000 0.750000 Gd\n0.250000 0.250000 0.750000 Gd\n0.250000 0.750000 0.250000 Gd\n0.750000 0.250000 0.250000 Gd\n0.250000 0.250000 0.250000 W\n0.750000 0.750000 0.250000 W\n0.750000 0.250000 0.750000 W\n0.250000 0.750000 0.750000 W\n0.019007 0.216180 0.271770 O\n0.980993 0.783820 0.271770 O\n0.980993 0.216180 0.728230 O\n0.019007 0.783820 0.728230 O\n0.264441 0.019964 0.225411 O\n0.264441 0.980036 0.774589 O\n0.735559 0.980036 0.225411 O\n0.735559 0.019964 0.774589 O\n0.226864 0.270089 0.019820 O\n0.773136 0.270089 0.980180 O\n0.226864 0.729911 0.980180 O\n0.773136 0.729911 0.019820 O\n0.480993 0.283820 0.228230 O\n0.519007 0.716180 0.228230 O\n0.519007 0.283820 0.771770 O\n0.480993 0.716180 0.771770 O\n0.235559 0.480036 0.274589 O\n0.235559 0.519964 0.725411 O\n0.764441 0.519964 0.274589 O\n0.764441 0.480036 0.725411 O\n0.273136 0.229911 0.480180 O\n0.726864 0.229911 0.519820 O\n0.273136 0.770089 0.519820 O\n0.726864 0.770089 0.480180 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"K",
"Sr",
"Gd",
"W",
"O"
],
"chemical_system": "Gd-K-O-Sr-W",
"density": 6.302440878939411,
"density_atomic": 0.06731796687340033,
"volume": 594.1950100071336,
"volume_molar": 8.94581497288142,
"formula_full": "K4 Sr4 Gd4 W4 O24",
"formula_reduced": "KSrGdWO6",
"formula_anonymous": "ABCDE6",
"energy": -354.97101822,
"energy_per_atom": -8.874275455500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -320.73101822,
"band_gap": 2.8355,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 28.0000017,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:36.729000Z",
"spacegroup": 48
},
{
"id": "mp-1519927",
"created_at": "2022-09-04T14:39:22.693277Z",
"structure_string": "Ba2 Ca2 Tb2 Sn2 O12\n1.0\n5.952667 -0.003365 0.019919\n-0.002003 6.033460 -0.015612\n0.028985 -0.022035 8.468659\nBa Ca Tb Sn O\n2 2 2 2 12\ndirect\n0.994095 0.032030 0.250456 Ba\n0.005905 0.967970 0.749544 Ba\n0.509858 0.539462 0.254056 Ca\n0.490142 0.460538 0.745944 Ca\n0.500000 0.000000 -0.000000 Tb\n0.000000 0.500000 0.500000 Tb\n0.000000 0.500000 -0.000000 Sn\n0.500000 0.000000 0.500000 Sn\n0.204633 0.226650 0.963423 O\n0.308611 0.713555 0.557219 O\n0.795367 0.773350 0.036577 O\n0.691389 0.286445 0.442781 O\n0.282244 0.696370 0.939127 O\n0.222800 0.205456 0.529438 O\n0.717756 0.303630 0.060873 O\n0.777200 0.794544 0.470562 O\n0.436147 0.936105 0.260465 O\n0.108261 0.497460 0.238190 O\n0.563853 0.063895 0.739535 O\n0.891739 0.502540 0.761810 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Ba",
"Ca",
"Tb",
"Sn",
"O"
],
"chemical_system": "Ba-Ca-O-Sn-Tb",
"density": 6.016930030825581,
"density_atomic": 0.06575750093115344,
"volume": 304.1478115316385,
"volume_molar": 9.158104664447391,
"formula_full": "Ba2 Ca2 Tb2 Sn2 O12",
"formula_reduced": "BaCaTbSnO6",
"formula_anonymous": "ABCDE6",
"energy": -142.0127611,
"energy_per_atom": -7.100638055,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -133.7687611,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:23.590000Z",
"spacegroup": 2
}
]
}