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_reduced&page=11485",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_reduced&page=11483",
"results": [
{
"id": "mp-1517779",
"created_at": "2022-09-04T14:48:06.243626Z",
"structure_string": "Ba1 Eu1 Ge4 O12\n1.0\n6.260901 0.000000 0.000000\n-0.000000 6.260901 0.000000\n-0.000000 0.000000 8.823545\nBa Eu Ge O\n1 1 4 12\ndirect\n0.500000 0.500000 0.000000 Ba\n-0.000000 -0.000000 0.500000 Eu\n0.000000 0.500000 0.749929 Ge\n-0.000000 0.500000 0.250071 Ge\n0.500000 0.000000 0.749929 Ge\n0.500000 -0.000000 0.250071 Ge\n0.238499 0.238499 0.735328 O\n0.238499 0.238499 0.264672 O\n0.761501 0.761501 0.264672 O\n0.761501 0.761501 0.735328 O\n0.761501 0.238499 0.735328 O\n0.761501 0.238499 0.264672 O\n0.238499 0.761501 0.264672 O\n0.238499 0.761501 0.735328 O\n-0.000000 0.500000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 -0.000000 0.500000 O\n0.500000 -0.000000 0.000000 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ba",
"Eu",
"Ge",
"O"
],
"chemical_system": "Ba-Eu-Ge-O",
"density": 3.705627317479339,
"density_atomic": 0.05204220954008126,
"volume": 345.873093380806,
"volume_molar": 11.571646963532432,
"formula_full": "Ba1 Eu1 Ge4 O12",
"formula_reduced": "BaEu(GeO3)4",
"formula_anonymous": "ABC4D12",
"energy": -106.57518182,
"energy_per_atom": -5.9208434344444445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -98.33118182,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.1946535,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:31.648000Z",
"spacegroup": 123
},
{
"id": "mp-1520851",
"created_at": "2022-09-04T14:41:05.819546Z",
"structure_string": "Ba1 Eu1 Gd1 V1 O6\n1.0\n-0.000000 -4.186794 -4.186794\n4.186794 0.000000 -4.186794\n4.186794 -4.186794 0.000000\nBa Eu Gd V O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Eu\n0.000000 -0.000000 -0.000000 Gd\n0.500000 0.500000 0.500000 V\n0.730091 0.269909 0.269909 O\n0.269909 0.730091 0.730091 O\n0.730091 0.269909 0.730091 O\n0.269909 0.730091 0.269909 O\n0.730091 0.730091 0.269909 O\n0.269909 0.269909 0.730091 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Eu",
"Gd",
"V",
"O"
],
"chemical_system": "Ba-Eu-Gd-O-V",
"density": 6.713973233282113,
"density_atomic": 0.06812793493360893,
"volume": 146.78266719437568,
"volume_molar": 8.839458829727645,
"formula_full": "Ba1 Eu1 Gd1 V1 O6",
"formula_reduced": "BaEuGdVO6",
"formula_anonymous": "ABCDE6",
"energy": -96.0191735,
"energy_per_atom": -9.601917349999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -90.1971735,
"band_gap": 0.0893000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.8917911,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.697000Z",
"spacegroup": 216
},
{
"id": "mp-1523078",
"created_at": "2022-09-04T14:41:18.804419Z",
"structure_string": "Ba2 Eu2 Gd2 Sb2 O12\n1.0\n4.341462 -4.361725 0.000000\n4.341462 4.361725 0.000000\n0.000000 0.000000 8.947010\nBa Eu Gd Sb O\n2 2 2 2 12\ndirect\n0.500000 0.500000 0.250000 Ba\n0.500000 0.500000 0.750000 Ba\n0.000000 -0.000000 0.250000 Eu\n0.000000 -0.000000 0.750000 Eu\n0.000000 0.500000 -0.000000 Gd\n0.500000 -0.000000 0.500000 Gd\n0.000000 0.500000 0.500000 Sb\n0.500000 -0.000000 -0.000000 Sb\n0.000000 0.500000 0.264816 O\n0.500000 -0.000000 0.235184 O\n0.000000 0.500000 0.735184 O\n0.500000 -0.000000 0.764816 O\n0.318394 0.708680 0.000000 O\n0.681606 0.291320 -0.000000 O\n0.794588 0.829198 -0.000000 O\n0.205412 0.170802 0.000000 O\n0.829198 0.794588 0.500000 O\n0.170802 0.205412 0.500000 O\n0.291320 0.681606 0.500000 O\n0.708680 0.318394 0.500000 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Ba",
"Eu",
"Gd",
"Sb",
"O"
],
"chemical_system": "Ba-Eu-Gd-O-Sb",
"density": 6.510876277606156,
"density_atomic": 0.05902388512771395,
"volume": 338.84587496612016,
"volume_molar": 10.202887774956677,
"formula_full": "Ba2 Eu2 Gd2 Sb2 O12",
"formula_reduced": "BaEuGdSbO6",
"formula_anonymous": "ABCDE6",
"energy": -179.03634684,
"energy_per_atom": -8.951817342,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -170.79234684,
"band_gap": 0.0457999999999998,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 28.0008323,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:19.160000Z",
"spacegroup": 66
},
{
"id": "mp-1523336",
"created_at": "2022-09-04T14:44:04.913392Z",
"structure_string": "Ba1 Eu1 Gd1 Sb1 O6\n1.0\n-0.000000 -4.250088 -4.250088\n4.250088 -0.000000 -4.250088\n4.250088 -4.250088 0.000000\nBa Eu Gd Sb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Eu\n0.000000 0.000000 0.000000 Gd\n0.500000 0.500000 0.500000 Sb\n0.735487 0.264513 0.264513 O\n0.264513 0.735487 0.735487 O\n0.735487 0.264513 0.735487 O\n0.264513 0.735487 0.264513 O\n0.735487 0.735487 0.264513 O\n0.264513 0.264513 0.735487 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Eu",
"Gd",
"Sb",
"O"
],
"chemical_system": "Ba-Eu-Gd-O-Sb",
"density": 7.184356708566877,
"density_atomic": 0.06512927400286612,
"volume": 153.54078719747332,
"volume_molar": 9.246442329043902,
"formula_full": "Ba1 Eu1 Gd1 Sb1 O6",
"formula_reduced": "BaEuGdSbO6",
"formula_anonymous": "ABCDE6",
"energy": -90.08345781,
"energy_per_atom": -9.008345781,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -85.96145781000001,
"band_gap": 0.6533999999999995,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:21.846000Z",
"spacegroup": 216
},
{
"id": "mp-1518402",
"created_at": "2022-09-04T14:40:53.289393Z",
"structure_string": "Ba1 Eu1 Fe4 O12\n1.0\n5.458064 0.000000 0.000000\n0.000000 5.458064 0.000000\n0.000000 0.000000 7.706024\nBa Eu Fe O\n1 1 4 12\ndirect\n0.500000 0.500000 -0.000000 Ba\n0.000000 -0.000000 0.500000 Eu\n-0.000000 0.500000 0.749536 Fe\n0.000000 0.500000 0.250464 Fe\n0.500000 -0.000000 0.250464 Fe\n0.500000 -0.000000 0.749536 Fe\n0.241446 0.241446 0.261905 O\n0.241446 0.241446 0.738095 O\n0.758554 0.758554 0.738095 O\n0.758554 0.758554 0.261905 O\n0.758554 0.241446 0.738095 O\n0.758554 0.241446 0.261905 O\n0.241446 0.758554 0.738095 O\n0.241446 0.758554 0.261905 O\n0.000000 0.500000 0.500000 O\n-0.000000 0.500000 -0.000000 O\n0.500000 -0.000000 0.500000 O\n0.500000 -0.000000 -0.000000 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ba",
"Eu",
"Fe",
"O"
],
"chemical_system": "Ba-Eu-Fe-O",
"density": 5.097103520827624,
"density_atomic": 0.07840881678096966,
"volume": 229.56601998321088,
"volume_molar": 7.680438255843716,
"formula_full": "Ba1 Eu1 Fe4 O12",
"formula_reduced": "BaEu(FeO3)4",
"formula_anonymous": "ABC4D12",
"energy": -132.92445997,
"energy_per_atom": -7.3846922205555545,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -115.65645997,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 24.8698362,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.668000Z",
"spacegroup": 123
},
{
"id": "mp-1228144",
"created_at": "2022-09-04T14:43:17.193855Z",
"structure_string": "Ba1 Eu1 Fe1 Cu1 O5\n1.0\n3.930390 0.000000 0.000000\n0.000000 3.930390 0.000000\n0.000000 0.000000 7.881022\nBa Eu Fe Cu O\n1 1 1 1 5\ndirect\n0.000000 0.000000 0.024561 Ba\n0.000000 0.000000 0.499432 Eu\n0.500000 0.500000 0.748765 Fe\n0.500000 0.500000 0.276555 Cu\n0.000000 0.500000 0.687994 O\n0.500000 0.000000 0.687994 O\n0.000000 0.500000 0.304371 O\n0.500000 0.000000 0.304371 O\n0.500000 0.500000 0.984956 O\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Ba",
"Eu",
"Fe",
"Cu",
"O"
],
"chemical_system": "Ba-Cu-Eu-Fe-O",
"density": 6.665288341155137,
"density_atomic": 0.07392454791236165,
"volume": 121.74575637134225,
"volume_molar": 8.146334242232111,
"formula_full": "Ba1 Eu1 Fe1 Cu1 O5",
"formula_reduced": "BaEuFeCuO5",
"formula_anonymous": "ABCDE5",
"energy": -69.84217343,
"energy_per_atom": -7.760241492222223,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.15117343,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.0455902,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:07.293000Z",
"spacegroup": 99
},
{
"id": "mp-1517846",
"created_at": "2022-09-04T14:48:27.545197Z",
"structure_string": "Ba1 Eu1 Fe1 Bi1 O6\n1.0\n-0.000000 -4.161732 -4.161732\n4.161732 0.000000 -4.161732\n4.161732 -4.161732 0.000000\nBa Eu Fe 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 Fe\n0.000000 0.000000 0.000000 Bi\n0.742703 0.257297 0.257297 O\n0.257297 0.742703 0.742703 O\n0.742703 0.257297 0.742703 O\n0.257297 0.742703 0.257297 O\n0.742703 0.742703 0.257297 O\n0.257297 0.257297 0.742703 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Eu",
"Fe",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-Eu-Fe-O",
"density": 7.4883388680526135,
"density_atomic": 0.06936616343744664,
"volume": 144.16250668119838,
"volume_molar": 8.681669075486171,
"formula_full": "Ba1 Eu1 Fe1 Bi1 O6",
"formula_reduced": "BaEuFeBiO6",
"formula_anonymous": "ABCDE6",
"energy": -76.40186107,
"energy_per_atom": -7.640186107,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.02386107,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.496092,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:45.598000Z",
"spacegroup": 216
},
{
"id": "mp-656144",
"created_at": "2022-09-04T14:42:52.421571Z",
"structure_string": "Ba1 Eu1 Fe2 O5\n1.0\n3.986060 0.000000 0.000000\n0.000000 3.986060 0.000000\n0.000000 0.000000 7.739915\nBa Eu Fe O\n1 1 2 5\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Eu\n0.500000 0.500000 0.257086 Fe\n0.500000 0.500000 0.742914 Fe\n0.500000 0.000000 0.700708 O\n0.500000 0.000000 0.299292 O\n0.000000 0.500000 0.700708 O\n0.000000 0.500000 0.299292 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Ba",
"Eu",
"Fe",
"O"
],
"chemical_system": "Ba-Eu-Fe-O",
"density": 6.494570792800125,
"density_atomic": 0.07318442330665609,
"volume": 122.97698872734651,
"volume_molar": 8.228719292855711,
"formula_full": "Ba1 Eu1 Fe2 O5",
"formula_reduced": "BaEuFe2O5",
"formula_anonymous": "ABC2D5",
"energy": -75.21751744000001,
"energy_per_atom": -8.357501937777778,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.27051744,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.9827699,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:52.858000Z",
"spacegroup": 123
},
{
"id": "mp-639347",
"created_at": "2022-09-04T14:43:36.589568Z",
"structure_string": "Ba1 Eu1 Fe2 O5\n1.0\n3.973065 0.011794 0.006165\n0.010827 3.992240 0.005048\n0.011171 0.009136 7.743797\nBa Eu Fe O\n1 1 2 5\ndirect\n0.000655 0.000819 0.989019 Ba\n0.999541 0.999427 0.503242 Eu\n0.500678 0.500486 0.249824 Fe\n0.500185 0.499993 0.738071 Fe\n0.500008 0.000999 0.701607 O\n0.499788 0.999271 0.304669 O\n0.001319 0.500093 0.702029 O\n0.999156 0.499756 0.304835 O\n0.498669 0.499156 0.006704 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Ba",
"Eu",
"Fe",
"O"
],
"chemical_system": "Ba-Eu-Fe-O",
"density": 6.502541758704234,
"density_atomic": 0.0732742445683684,
"volume": 122.82624069365282,
"volume_molar": 8.218632338653526,
"formula_full": "Ba1 Eu1 Fe2 O5",
"formula_reduced": "BaEuFe2O5",
"formula_anonymous": "ABC2D5",
"energy": -75.14656918,
"energy_per_atom": -8.349618797777778,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.19956918,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.8414639,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:19.420000Z",
"spacegroup": 99
},
{
"id": "mp-1518576",
"created_at": "2022-09-04T14:42:25.332536Z",
"structure_string": "Ba1 Eu1 Dy1 W1 O6\n1.0\n0.000000 -4.232684 -4.232684\n4.232684 -0.000000 -4.232684\n4.232684 -4.232684 -0.000000\nBa Eu Dy W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Eu\n-0.000000 -0.000000 -0.000000 Dy\n0.500000 0.500000 0.500000 W\n0.736772 0.263228 0.263228 O\n0.263228 0.736772 0.736772 O\n0.736772 0.263228 0.736772 O\n0.263228 0.736772 0.263228 O\n0.736772 0.736772 0.263228 O\n0.263228 0.263228 0.736772 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Eu",
"Dy",
"W",
"O"
],
"chemical_system": "Ba-Dy-Eu-O-W",
"density": 8.010535032105858,
"density_atomic": 0.0659359799030538,
"volume": 151.66226413413557,
"volume_molar": 9.13331502596064,
"formula_full": "Ba1 Eu1 Dy1 W1 O6",
"formula_reduced": "BaEuDyWO6",
"formula_anonymous": "ABCDE6",
"energy": -89.73896178000001,
"energy_per_atom": -8.973896178,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -81.17896177999998,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0324534,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:45.833000Z",
"spacegroup": 216
},
{
"id": "mp-1518565",
"created_at": "2022-09-04T14:46:27.276243Z",
"structure_string": "Ba2 Eu2 Dy2 W2 O12\n1.0\n5.966531 -0.034535 0.003246\n-0.036532 5.957686 0.015664\n0.003176 0.020345 8.459520\nBa Eu Dy W O\n2 2 2 2 12\ndirect\n0.503189 0.519186 0.248597 Ba\n0.496811 0.480814 0.751403 Ba\n0.997101 0.024459 0.250434 Eu\n0.002899 0.975541 0.749566 Eu\n0.000000 0.500000 0.000000 Dy\n0.500000 -0.000000 0.500000 Dy\n0.500000 -0.000000 0.000000 W\n0.000000 0.500000 0.500000 W\n0.230294 0.201171 0.969678 O\n0.255726 0.711163 0.530067 O\n0.769706 0.798829 0.030322 O\n0.744274 0.288837 0.469933 O\n0.287527 0.740206 0.966207 O\n0.203789 0.226141 0.533870 O\n0.712473 0.259794 0.033793 O\n0.796211 0.773859 0.466130 O\n0.430685 0.999679 0.236589 O\n0.049484 0.485203 0.262144 O\n0.569315 0.000321 0.763411 O\n0.950516 0.514797 0.737856 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Ba",
"Eu",
"Dy",
"W",
"O"
],
"chemical_system": "Ba-Dy-Eu-O-W",
"density": 8.08057149693243,
"density_atomic": 0.06651246111420606,
"volume": 300.69553381371276,
"volume_molar": 9.05415415264759,
"formula_full": "Ba2 Eu2 Dy2 W2 O12",
"formula_reduced": "BaEuDyWO6",
"formula_anonymous": "ABCDE6",
"energy": -181.3814292,
"energy_per_atom": -9.06907146,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -164.2614292,
"band_gap": 0.1035000000000003,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 15.9999997,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:40.497000Z",
"spacegroup": 2
},
{
"id": "mp-1516727",
"created_at": "2022-09-04T14:41:36.143169Z",
"structure_string": "Ba1 Eu1 Dy1 V1 O6\n1.0\n-0.000000 -4.237565 -4.237565\n4.237565 0.000000 -4.237565\n4.237565 -4.237565 -0.000000\nBa Eu Dy V 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 V\n0.731267 0.268733 0.268733 O\n0.268733 0.731267 0.731267 O\n0.731267 0.268733 0.731267 O\n0.268733 0.731267 0.268733 O\n0.731267 0.731267 0.268733 O\n0.268733 0.268733 0.731267 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Eu",
"Dy",
"V",
"O"
],
"chemical_system": "Ba-Dy-Eu-O-V",
"density": 6.532812666977628,
"density_atomic": 0.0657083989980204,
"volume": 152.18754607460866,
"volume_molar": 9.164948243802788,
"formula_full": "Ba1 Eu1 Dy1 V1 O6",
"formula_reduced": "BaEuDyVO6",
"formula_anonymous": "ABCDE6",
"energy": -86.77174146,
"energy_per_atom": -8.677174146,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.94974146,
"band_gap": 0.0907,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.9375644,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.109000Z",
"spacegroup": 216
}
]
}