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=48",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=46",
"results": [
{
"id": "mp-1518358",
"created_at": "2022-09-04T14:41:15.211395Z",
"structure_string": "Na1 Nd1 Hf1 Sn1 O6\n1.0\n0.000000 -4.078157 -4.078157\n4.078157 0.000000 -4.078157\n4.078157 -4.078157 0.000000\nNa Nd Hf Sn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Nd\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Sn\n0.749616 0.250384 0.250384 O\n0.250384 0.749616 0.749616 O\n0.749616 0.250384 0.749616 O\n0.250384 0.749616 0.250384 O\n0.749616 0.749616 0.250384 O\n0.250384 0.250384 0.749616 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"Nd",
"Hf",
"Sn",
"O"
],
"chemical_system": "Hf-Na-Nd-O-Sn",
"density": 6.860365193754316,
"density_atomic": 0.07371878706444746,
"volume": 135.65063124624749,
"volume_molar": 8.169071955477564,
"formula_full": "Na1 Nd1 Hf1 Sn1 O6",
"formula_reduced": "NaNdHfSnO6",
"formula_anonymous": "ABCDE6",
"energy": -79.28184181,
"energy_per_atom": -7.928184181000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -75.15984181,
"band_gap": 3.3638,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0007135,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:17.899000Z",
"spacegroup": 216
},
{
"id": "mp-1516342",
"created_at": "2022-09-04T14:43:55.544387Z",
"structure_string": "Ba4 Sr4 Sm4 Se4 O24\n1.0\n8.430953 0.000000 0.000000\n0.000000 8.423840 0.000000\n0.000000 0.000000 8.413527\nBa Sr Sm 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 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n-0.000000 0.500000 0.500000 Sr\n0.500000 -0.000000 -0.000000 Sr\n-0.000000 0.500000 -0.000000 Sr\n-0.000000 -0.000000 0.500000 Sr\n0.248350 0.250296 0.249296 Sm\n0.751650 0.749704 0.249296 Sm\n0.751650 0.250296 0.750704 Sm\n0.248350 0.749704 0.750704 Sm\n0.755825 0.751533 0.747449 Se\n0.244175 0.248467 0.747449 Se\n0.244175 0.751533 0.252551 Se\n0.755825 0.248467 0.252551 Se\n0.980308 0.221280 0.275366 O\n0.019692 0.778720 0.275366 O\n0.019692 0.221280 0.724634 O\n0.980308 0.778720 0.724634 O\n0.271759 0.980988 0.222640 O\n0.271759 0.019012 0.777360 O\n0.728241 0.019012 0.222640 O\n0.728241 0.980988 0.777360 O\n0.220977 0.276539 0.982288 O\n0.779023 0.276539 0.017712 O\n0.220977 0.723461 0.017712 O\n0.779023 0.723461 0.982288 O\n0.517282 0.268855 0.234373 O\n0.482718 0.731145 0.234373 O\n0.482718 0.268855 0.765627 O\n0.517282 0.731145 0.765627 O\n0.220472 0.518904 0.275673 O\n0.220472 0.481096 0.724327 O\n0.779528 0.481096 0.275673 O\n0.779528 0.518904 0.724327 O\n0.262195 0.227830 0.519847 O\n0.737805 0.227830 0.480153 O\n0.262195 0.772169 0.480153 O\n0.737805 0.772169 0.519847 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Sm",
"Se",
"O"
],
"chemical_system": "Ba-O-Se-Sm-Sr",
"density": 6.116667114503857,
"density_atomic": 0.06694145087304515,
"volume": 597.5370936590579,
"volume_molar": 8.996131218340375,
"formula_full": "Ba4 Sr4 Sm4 Se4 O24",
"formula_reduced": "BaSrSmSeO6",
"formula_anonymous": "ABCDE6",
"energy": -271.25431999,
"energy_per_atom": -6.78135799975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -254.76631999,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002053,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:19.789000Z",
"spacegroup": 16
},
{
"id": "mp-1517038",
"created_at": "2022-09-04T14:47:21.003361Z",
"structure_string": "Na4 Pr4 Eu4 W4 O24\n1.0\n8.077449 0.000000 0.000000\n0.000000 8.031925 0.000000\n0.000000 0.000000 8.072842\nNa Pr Eu W O\n4 4 4 4 24\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.750000 Na\n0.250000 0.750000 0.250000 Na\n0.750000 0.250000 0.250000 Na\n0.500000 -0.000000 0.500000 Pr\n0.500000 0.500000 -0.000000 Pr\n-0.000000 0.500000 -0.000000 Pr\n-0.000000 -0.000000 0.500000 Pr\n-0.000000 0.500000 0.500000 Eu\n0.500000 -0.000000 -0.000000 Eu\n-0.000000 -0.000000 -0.000000 Eu\n0.500000 0.500000 0.500000 Eu\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\n0.018008 0.189525 0.296445 O\n0.981992 0.810475 0.296445 O\n0.981992 0.189525 0.703555 O\n0.018008 0.810475 0.703555 O\n0.296069 0.019316 0.192952 O\n0.296069 0.980684 0.807048 O\n0.703931 0.980684 0.192952 O\n0.703931 0.019316 0.807048 O\n0.190326 0.298064 0.017166 O\n0.809674 0.298064 0.982834 O\n0.190326 0.701936 0.982834 O\n0.809674 0.701936 0.017166 O\n0.481992 0.310475 0.203555 O\n0.518008 0.689525 0.203555 O\n0.518008 0.310475 0.796445 O\n0.481992 0.689525 0.796445 O\n0.203931 0.480684 0.307048 O\n0.203931 0.519316 0.692952 O\n0.796069 0.519316 0.307048 O\n0.796069 0.480684 0.692952 O\n0.309674 0.201936 0.482834 O\n0.690326 0.201936 0.517166 O\n0.309674 0.798064 0.517166 O\n0.690326 0.798064 0.482834 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Na",
"Pr",
"Eu",
"W",
"O"
],
"chemical_system": "Eu-Na-O-Pr-W",
"density": 7.5546574557055,
"density_atomic": 0.07637296819812552,
"volume": 523.7455207480302,
"volume_molar": 7.885173120910347,
"formula_full": "Na4 Pr4 Eu4 W4 O24",
"formula_reduced": "NaPrEuWO6",
"formula_anonymous": "ABCDE6",
"energy": -346.42907778999995,
"energy_per_atom": -8.66072694475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -312.18907779,
"band_gap": 0.1032999999999999,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 27.9773272,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:01.790000Z",
"spacegroup": 48
},
{
"id": "mp-1520777",
"created_at": "2022-09-04T14:44:30.705961Z",
"structure_string": "Ba1 Eu1 Sn1 Bi1 O6\n1.0\n0.000000 -4.293993 -4.293993\n4.293993 -0.000000 -4.293993\n4.293993 -4.293993 -0.000000\nBa Eu Sn Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 Sn\n-0.000000 0.000000 -0.000000 Bi\n0.741273 0.258727 0.258727 O\n0.258727 0.741273 0.741273 O\n0.741273 0.258727 0.741273 O\n0.258727 0.741273 0.258727 O\n0.741273 0.741273 0.258727 O\n0.258727 0.258727 0.741273 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Eu",
"Sn",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-Eu-O-Sn",
"density": 7.476719932182906,
"density_atomic": 0.06315183988935293,
"volume": 158.34851395495048,
"volume_molar": 9.53597040173536,
"formula_full": "Ba1 Eu1 Sn1 Bi1 O6",
"formula_reduced": "BaEuSnBiO6",
"formula_anonymous": "ABCDE6",
"energy": -73.21973032,
"energy_per_atom": -7.321973032,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.09773032,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.5152197,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:47.118000Z",
"spacegroup": 216
},
{
"id": "mp-1522301",
"created_at": "2022-09-04T14:45:14.441031Z",
"structure_string": "K1 Mn1 Bi1 W1 O6\n1.0\n0.000000 -4.068349 -4.068349\n4.068349 0.000000 -4.068349\n4.068349 -4.068349 -0.000000\nK Mn Bi W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n-0.000000 -0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Bi\n0.500000 0.500000 0.500000 W\n0.739186 0.260814 0.260814 O\n0.260814 0.739186 0.739186 O\n0.739186 0.260814 0.739186 O\n0.260814 0.739186 0.260814 O\n0.739186 0.739186 0.260814 O\n0.260814 0.260814 0.739186 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Mn",
"Bi",
"W",
"O"
],
"chemical_system": "Bi-K-Mn-O-W",
"density": 7.186602789955612,
"density_atomic": 0.07425323852765282,
"volume": 134.67426065565985,
"volume_molar": 8.110273544173134,
"formula_full": "K1 Mn1 Bi1 W1 O6",
"formula_reduced": "KMnBiWO6",
"formula_anonymous": "ABCDE6",
"energy": -75.82084927999999,
"energy_per_atom": -7.582084927999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.59284928,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.9886104,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:56.624000Z",
"spacegroup": 216
},
{
"id": "mp-1043896",
"created_at": "2022-09-04T14:45:23.115475Z",
"structure_string": "La2 Mg2 Cr2 Fe2 O12\n1.0\n5.498427 0.000000 0.000000\n0.000000 5.349087 0.000000\n0.000000 5.317198 7.629107\nLa Mg Cr Fe O\n2 2 2 2 12\ndirect\n0.284077 0.238681 0.751337 La\n0.715923 0.238681 0.251337 La\n0.805421 0.781146 0.749049 Mg\n0.194579 0.781146 0.249049 Mg\n0.754546 0.496608 0.503266 Cr\n0.245454 0.496608 0.003266 Cr\n0.746943 0.999272 0.999369 Fe\n0.253057 0.999272 0.499369 Fe\n0.268701 0.387294 0.242148 O\n0.448119 0.135072 0.059481 O\n0.457909 0.745766 0.441674 O\n0.542091 0.745766 0.941674 O\n0.551881 0.135072 0.559481 O\n0.731299 0.387294 0.742148 O\n0.791793 0.666460 0.256332 O\n0.983355 0.826396 0.444056 O\n0.986607 0.223304 0.053288 O\n0.013393 0.223304 0.553288 O\n0.016645 0.826396 0.944056 O\n0.208207 0.666460 0.756332 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"La",
"Mg",
"Cr",
"Fe",
"O"
],
"chemical_system": "Cr-Fe-La-Mg-O",
"density": 5.432629512497564,
"density_atomic": 0.0891329262289517,
"volume": 224.38397173932006,
"volume_molar": 6.756359310510237,
"formula_full": "La2 Mg2 Cr2 Fe2 O12",
"formula_reduced": "LaMgCrFeO6",
"formula_anonymous": "ABCDE6",
"energy": -160.16176495,
"energy_per_atom": -8.0080882475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -143.40776495,
"band_gap": 0.7804000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.0000595,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:05.924000Z",
"spacegroup": 7
},
{
"id": "mp-1521899",
"created_at": "2022-09-04T14:47:25.623557Z",
"structure_string": "Nd1 Eu1 Ni1 Sb1 O6\n1.0\n0.000000 -3.999133 -3.999133\n3.999133 0.000000 -3.999133\n3.999133 -3.999133 -0.000000\nNd Eu Ni Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Nd\n0.750000 0.750000 0.750000 Eu\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Sb\n0.747339 0.252661 0.252661 O\n0.252661 0.747339 0.747339 O\n0.747339 0.252661 0.747339 O\n0.252661 0.747339 0.252661 O\n0.747339 0.747339 0.252661 O\n0.252661 0.252661 0.747339 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Nd",
"Eu",
"Ni",
"Sb",
"O"
],
"chemical_system": "Eu-Nd-Ni-O-Sb",
"density": 7.433874451187557,
"density_atomic": 0.07817582281134676,
"volume": 127.91678603923258,
"volume_molar": 7.7033289109506144,
"formula_full": "Nd1 Eu1 Ni1 Sb1 O6",
"formula_reduced": "NdEuNiSbO6",
"formula_anonymous": "ABCDE6",
"energy": -79.19565691,
"energy_per_atom": -7.919565691,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.53265691,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.9695848,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:06.952000Z",
"spacegroup": 216
},
{
"id": "mp-1518014",
"created_at": "2022-09-04T14:47:25.218233Z",
"structure_string": "Sr2 La2 Eu2 Sb2 O12\n1.0\n5.984079 0.000000 0.000000\n0.000000 5.984079 0.000000\n0.000000 0.000000 8.680688\nSr La Eu Sb O\n2 2 2 2 12\ndirect\n0.500000 -0.000000 0.250000 Sr\n0.000000 0.500000 0.750000 Sr\n-0.000000 -0.000000 0.000000 La\n0.500000 0.500000 0.500000 La\n-0.000000 0.500000 0.250000 Eu\n0.500000 0.000000 0.750000 Eu\n0.000000 0.000000 0.500000 Sb\n0.500000 0.500000 0.000000 Sb\n-0.000000 0.000000 0.268297 O\n0.500000 0.500000 0.231703 O\n0.000000 0.000000 0.731703 O\n0.500000 0.500000 0.768297 O\n0.343714 0.201585 0.998260 O\n0.656286 0.798415 0.998260 O\n0.798415 0.343714 0.001740 O\n0.201585 0.656286 0.001740 O\n0.843714 0.298415 0.498260 O\n0.156286 0.701585 0.498260 O\n0.298415 0.156286 0.501740 O\n0.701585 0.843714 0.501740 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Sr",
"La",
"Eu",
"Sb",
"O"
],
"chemical_system": "Eu-La-O-Sb-Sr",
"density": 6.370238509879063,
"density_atomic": 0.06434002300849752,
"volume": 310.848505561749,
"volume_molar": 9.359867277642477,
"formula_full": "Sr2 La2 Eu2 Sb2 O12",
"formula_reduced": "SrLaEuSbO6",
"formula_anonymous": "ABCDE6",
"energy": -160.97493266,
"energy_per_atom": -8.048746633,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -152.73093266,
"band_gap": 0.1272000000000002,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 13.9999998,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:11.266000Z",
"spacegroup": 118
},
{
"id": "mp-1518616",
"created_at": "2022-09-04T14:48:29.544389Z",
"structure_string": "Na1 Sr1 Hf1 Sb1 O6\n1.0\n0.000000 -4.050926 -4.050926\n4.050926 -0.000000 -4.050926\n4.050926 -4.050926 0.000000\nNa Sr Hf Sb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Sr\n-0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Sb\n0.745860 0.254140 0.254140 O\n0.254140 0.745860 0.745860 O\n0.745860 0.254140 0.745860 O\n0.254140 0.745860 0.254140 O\n0.745860 0.745860 0.254140 O\n0.254140 0.254140 0.745860 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"Sr",
"Hf",
"Sb",
"O"
],
"chemical_system": "Hf-Na-O-Sb-Sr",
"density": 6.3305422164273075,
"density_atomic": 0.07521545290013416,
"volume": 132.9514031282548,
"volume_molar": 8.006520638778548,
"formula_full": "Na1 Sr1 Hf1 Sb1 O6",
"formula_reduced": "NaSrHfSbO6",
"formula_anonymous": "ABCDE6",
"energy": -75.87660414,
"energy_per_atom": -7.587660414,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -71.75460414,
"band_gap": 3.2996000000000003,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:43.978000Z",
"spacegroup": 216
},
{
"id": "mp-1520345",
"created_at": "2022-09-04T14:48:28.976866Z",
"structure_string": "Ba4 Sr4 Nb4 Sb4 O24\n1.0\n8.585305 0.000000 0.000000\n0.000000 8.765159 0.000000\n0.000000 0.000000 8.559545\nBa Sr Nb Sb 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\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.000000 Sr\n0.000000 0.500000 0.000000 Sr\n0.000000 0.000000 0.500000 Sr\n0.751271 0.746644 0.754749 Nb\n0.248729 0.253356 0.754749 Nb\n0.248729 0.746644 0.245251 Nb\n0.751271 0.253356 0.245251 Nb\n0.230046 0.264957 0.268280 Sb\n0.769954 0.735043 0.268280 Sb\n0.769954 0.264957 0.731719 Sb\n0.230046 0.735043 0.731719 Sb\n0.996692 0.217233 0.288738 O\n0.003308 0.782767 0.288738 O\n0.003308 0.217233 0.711262 O\n0.996692 0.782767 0.711262 O\n0.291522 0.956974 0.205095 O\n0.291522 0.043026 0.794905 O\n0.708478 0.043026 0.205095 O\n0.708478 0.956974 0.794905 O\n0.199627 0.300239 0.967441 O\n0.800373 0.300239 0.032559 O\n0.199627 0.699761 0.032559 O\n0.800373 0.699761 0.967441 O\n0.537979 0.313816 0.247963 O\n0.462021 0.686184 0.247963 O\n0.462021 0.313816 0.752037 O\n0.537979 0.686184 0.752037 O\n0.200830 0.491413 0.292212 O\n0.200830 0.508587 0.707788 O\n0.799170 0.508587 0.292212 O\n0.799170 0.491413 0.707788 O\n0.257141 0.221606 0.505052 O\n0.742859 0.221606 0.494948 O\n0.257141 0.778394 0.494948 O\n0.742859 0.778394 0.505052 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Nb",
"Sb",
"O"
],
"chemical_system": "Ba-Nb-O-Sb-Sr",
"density": 5.523207770547218,
"density_atomic": 0.06210031238125563,
"volume": 644.1191431441754,
"volume_molar": 9.697440365562034,
"formula_full": "Ba4 Sr4 Nb4 Sb4 O24",
"formula_reduced": "BaSrNbSbO6",
"formula_anonymous": "ABCDE6",
"energy": -303.90899741,
"energy_per_atom": -7.59772493525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -287.42099741,
"band_gap": 2.1945,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001054,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:48.093000Z",
"spacegroup": 16
},
{
"id": "mp-1522055",
"created_at": "2022-09-04T14:45:53.301215Z",
"structure_string": "Pr1 Eu1 Zr1 Mn1 O6\n1.0\n0.000000 -4.068332 -4.068332\n4.068332 0.000000 -4.068332\n4.068332 -4.068332 0.000000\nPr Eu Zr Mn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Pr\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 Zr\n-0.000000 0.000000 -0.000000 Mn\n0.753906 0.246094 0.246094 O\n0.246094 0.753906 0.753906 O\n0.753906 0.246094 0.753906 O\n0.246094 0.753906 0.246094 O\n0.753906 0.753906 0.246094 O\n0.246094 0.246094 0.753906 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Pr",
"Eu",
"Zr",
"Mn",
"O"
],
"chemical_system": "Eu-Mn-O-Pr-Zr",
"density": 6.597025352919008,
"density_atomic": 0.07425416935900805,
"volume": 134.67257241342855,
"volume_molar": 8.110171875849597,
"formula_full": "Pr1 Eu1 Zr1 Mn1 O6",
"formula_reduced": "PrEuZrMnO6",
"formula_anonymous": "ABCDE6",
"energy": -93.46249156,
"energy_per_atom": -9.346249156,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -87.67249156,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:12.986000Z",
"spacegroup": 216
},
{
"id": "mp-39159",
"created_at": "2022-09-04T14:39:37.923966Z",
"structure_string": "Ca4 La4 Ti4 Cr4 O24\n1.0\n-5.492606 -5.550699 -0.002299\n5.486381 0.000000 7.789099\n-5.492606 5.550699 -0.002299\nCa La Ti Cr O\n4 4 4 4 24\ndirect\n0.400503 0.749690 0.859219 Ca\n0.900503 0.749690 0.359219 Ca\n0.109219 0.249690 0.150503 Ca\n0.609219 0.249690 0.650503 Ca\n0.387891 0.750617 0.355940 La\n0.887891 0.750617 0.855940 La\n0.105941 0.250617 0.637892 La\n0.605941 0.250617 0.137892 La\n0.250272 0.001375 0.251061 Ti\n0.750272 0.001375 0.751061 Ti\n0.501061 0.501375 0.000272 Ti\n0.001061 0.501375 0.500272 Ti\n0.999877 0.499589 0.999347 Cr\n0.749347 0.999589 0.249877 Cr\n0.499877 0.499589 0.499347 Cr\n0.249347 0.999589 0.749877 Cr\n0.349278 0.252546 0.829238 O\n0.849278 0.252546 0.329238 O\n0.579238 0.752546 0.599278 O\n0.079238 0.752546 0.099278 O\n0.762877 0.960750 0.977990 O\n0.262877 0.960750 0.477990 O\n0.227990 0.460750 0.512877 O\n0.727990 0.460750 0.012877 O\n0.553568 0.540217 0.772130 O\n0.053568 0.540217 0.272130 O\n0.022130 0.040217 0.303568 O\n0.522130 0.040217 0.803568 O\n0.474994 0.957085 0.191910 O\n0.974994 0.957085 0.691910 O\n0.941910 0.457085 0.724994 O\n0.441910 0.457085 0.224994 O\n0.273267 0.541139 0.983464 O\n0.773267 0.541139 0.483464 O\n0.733464 0.041139 0.523267 O\n0.233464 0.041139 0.023267 O\n0.921731 0.246992 0.905442 O\n0.421731 0.246992 0.405442 O\n0.155442 0.746992 0.671731 O\n0.655442 0.746992 0.171731 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Ca",
"La",
"Ti",
"Cr",
"O"
],
"chemical_system": "Ca-Cr-La-O-Ti",
"density": 5.24376443368578,
"density_atomic": 0.08424511080693436,
"volume": 474.805001938552,
"volume_molar": 7.148356388065083,
"formula_full": "Ca4 La4 Ti4 Cr4 O24",
"formula_reduced": "CaLaTiCrO6",
"formula_anonymous": "ABCDE6",
"energy": -351.78066893,
"energy_per_atom": -8.79451672325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -327.29666893,
"band_gap": 2.3315,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.39e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.590000Z",
"spacegroup": 7
}
]
}