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=59",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=57",
"results": [
{
"id": "mp-1516349",
"created_at": "2022-09-04T14:46:57.017716Z",
"structure_string": "Sr1 Eu1 Ni1 W1 O6\n1.0\n0.000000 -3.997779 -3.997779\n3.997779 0.000000 -3.997779\n3.997779 -3.997779 -0.000000\nSr Eu Ni W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Eu\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 W\n0.743418 0.256582 0.256582 O\n0.256582 0.743418 0.743418 O\n0.743418 0.256582 0.743418 O\n0.256582 0.743418 0.256582 O\n0.743418 0.743418 0.256582 O\n0.256582 0.256582 0.743418 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Eu",
"Ni",
"W",
"O"
],
"chemical_system": "Eu-Ni-O-Sr-W",
"density": 7.512354803695072,
"density_atomic": 0.07825528136942593,
"volume": 127.78690236627232,
"volume_molar": 7.695507133340689,
"formula_full": "Sr1 Eu1 Ni1 W1 O6",
"formula_reduced": "SrEuNiWO6",
"formula_anonymous": "ABCDE6",
"energy": -85.79223318000001,
"energy_per_atom": -8.579223318,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -74.69123318,
"band_gap": 0.4733,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.0000007,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:49.629000Z",
"spacegroup": 216
},
{
"id": "mp-1520207",
"created_at": "2022-09-04T14:42:46.776695Z",
"structure_string": "Ba1 Na1 Nd1 Se1 O6\n1.0\n0.000000 -4.151539 -4.151539\n4.151539 0.000000 -4.151539\n4.151539 -4.151539 0.000000\nBa Na Nd Se 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 Nd\n0.500000 0.500000 0.500000 Se\n0.721267 0.278733 0.278733 O\n0.278733 0.721267 0.721267 O\n0.721267 0.278733 0.721267 O\n0.278733 0.721267 0.278733 O\n0.721267 0.721267 0.278733 O\n0.278733 0.278733 0.721267 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Na",
"Nd",
"Se",
"O"
],
"chemical_system": "Ba-Na-Nd-O-Se",
"density": 5.564089229349165,
"density_atomic": 0.06987834942163053,
"volume": 143.10584154846316,
"volume_molar": 8.618035213831014,
"formula_full": "Ba1 Na1 Nd1 Se1 O6",
"formula_reduced": "BaNaNdSeO6",
"formula_anonymous": "ABCDE6",
"energy": -64.80093023,
"energy_per_atom": -6.480093023,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -60.67893023,
"band_gap": 1.8961,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.106000Z",
"spacegroup": 216
},
{
"id": "mp-1049277",
"created_at": "2022-09-04T14:47:45.218975Z",
"structure_string": "La2 Mg2 Cr2 Sn2 O12\n1.0\n5.619205 0.000000 0.000000\n0.000000 5.445761 0.000000\n0.000000 5.395665 7.885631\nLa Mg Cr Sn O\n2 2 2 2 12\ndirect\n0.291313 0.760300 0.249734 La\n0.708687 0.760300 0.749734 La\n0.806309 0.229334 0.248620 Mg\n0.193691 0.229334 0.748620 Mg\n0.248285 0.999703 0.500528 Cr\n0.751715 0.999703 0.000528 Cr\n0.249156 0.501167 0.997649 Sn\n0.750844 0.501167 0.497649 Sn\n0.811637 0.337482 0.754115 O\n0.028042 0.148487 0.062337 O\n0.037919 0.776025 0.440987 O\n0.562803 0.249741 0.062610 O\n0.558442 0.881749 0.436631 O\n0.282607 0.616010 0.746787 O\n0.188363 0.337482 0.254115 O\n0.971958 0.148487 0.562337 O\n0.962081 0.776025 0.940987 O\n0.437197 0.249741 0.562610 O\n0.441558 0.881749 0.936631 O\n0.717393 0.616010 0.246787 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"La",
"Mg",
"Cr",
"Sn",
"O"
],
"chemical_system": "Cr-La-Mg-O-Sn",
"density": 5.9168387817971935,
"density_atomic": 0.08288197495070525,
"volume": 241.3069911991741,
"volume_molar": 7.265923336867538,
"formula_full": "La2 Mg2 Cr2 Sn2 O12",
"formula_reduced": "LaMgCrSnO6",
"formula_anonymous": "ABCDE6",
"energy": -154.73448315,
"energy_per_atom": -7.736724157499999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -142.49248315,
"band_gap": 2.502299999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0013093,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:19.137000Z",
"spacegroup": 7
},
{
"id": "mp-1517277",
"created_at": "2022-09-04T14:46:57.021031Z",
"structure_string": "Ba1 Eu1 Hf1 Zr1 O6\n1.0\n0.000000 -4.197416 -4.197416\n4.197416 0.000000 -4.197416\n4.197416 -4.197416 0.000000\nBa Eu Hf Zr 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 Hf\n0.500000 0.500000 0.500000 Zr\n0.751947 0.248053 0.248053 O\n0.248053 0.751947 0.751947 O\n0.751947 0.248053 0.751947 O\n0.248053 0.751947 0.248053 O\n0.751947 0.751947 0.248053 O\n0.248053 0.248053 0.751947 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Eu",
"Hf",
"Zr",
"O"
],
"chemical_system": "Ba-Eu-Hf-O-Zr",
"density": 7.353858838338894,
"density_atomic": 0.06761202811009442,
"volume": 147.90267766730412,
"volume_molar": 8.906907436934139,
"formula_full": "Ba1 Eu1 Hf1 Zr1 O6",
"formula_reduced": "BaEuHfZrO6",
"formula_anonymous": "ABCDE6",
"energy": -97.09380935,
"energy_per_atom": -9.709380935,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -92.97180935,
"band_gap": 0.4265999999999996,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 7.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:46.095000Z",
"spacegroup": 216
},
{
"id": "mp-703273",
"created_at": "2022-09-04T14:39:48.124110Z",
"structure_string": "K5 Ba5 Li5 Zn5 F30\n1.0\n23.854151 -2.900869 0.000000\n23.854151 2.900869 0.000000\n23.501380 0.000000 5.012054\nK Ba Li Zn F\n5 5 5 5 30\ndirect\n0.298324 0.298324 0.298324 K\n0.599491 0.599491 0.599491 K\n0.199390 0.199390 0.199390 K\n0.100224 0.100224 0.100224 K\n0.700171 0.700171 0.700171 K\n0.001154 0.001154 0.001154 Ba\n0.899893 0.899893 0.899893 Ba\n0.501649 0.501649 0.501649 Ba\n0.801150 0.801150 0.801150 Ba\n0.400096 0.400096 0.400096 Ba\n0.250606 0.250606 0.250606 Li\n0.849667 0.849667 0.849667 Li\n0.151438 0.151438 0.151438 Li\n0.750253 0.750253 0.750253 Li\n0.349963 0.349963 0.349963 Li\n0.650327 0.650327 0.650327 Zn\n0.949018 0.949018 0.949018 Zn\n0.449487 0.449487 0.449487 Zn\n0.550269 0.550269 0.550269 Zn\n0.050077 0.050077 0.050077 Zn\n0.999778 0.500209 0.500209 F\n0.806209 0.290688 0.806209 F\n0.500209 0.500209 0.999778 F\n0.806209 0.806209 0.290688 F\n0.290688 0.806209 0.806209 F\n0.500209 0.999778 0.500209 F\n0.606339 0.096181 0.096181 F\n0.399942 0.900234 0.399942 F\n0.096181 0.096181 0.606339 F\n0.399942 0.399942 0.900234 F\n0.900234 0.399942 0.399942 F\n0.096181 0.606339 0.096181 F\n0.200990 0.699568 0.699568 F\n0.995197 0.506275 0.995197 F\n0.699568 0.699568 0.200990 F\n0.995197 0.995197 0.506275 F\n0.699568 0.200990 0.699568 F\n0.506275 0.995197 0.995197 F\n0.599124 0.101083 0.599124 F\n0.793341 0.303911 0.303911 F\n0.303911 0.303911 0.793341 F\n0.599124 0.599124 0.101083 F\n0.101083 0.599124 0.599124 F\n0.303911 0.793341 0.303911 F\n0.400905 0.899566 0.899566 F\n0.200036 0.700078 0.200036 F\n0.200036 0.200036 0.700078 F\n0.899566 0.899566 0.400905 F\n0.700078 0.200036 0.200036 F\n0.899566 0.400905 0.899566 F\n",
"nsites": 50,
"nelements": 5,
"elements": [
"K",
"Ba",
"Li",
"Zn",
"F"
],
"chemical_system": "Ba-F-K-Li-Zn",
"density": 4.342177011880633,
"density_atomic": 0.07208288930134932,
"volume": 693.6458913428163,
"volume_molar": 8.35446639052421,
"formula_full": "K5 Ba5 Li5 Zn5 F30",
"formula_reduced": "KBaLiZnF6",
"formula_anonymous": "ABCDE6",
"energy": -252.39383005,
"energy_per_atom": -5.047876601,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -238.53383005,
"band_gap": 4.4943,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.46e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.656000Z",
"spacegroup": 160
},
{
"id": "mp-1521277",
"created_at": "2022-09-04T14:42:13.553137Z",
"structure_string": "K4 Ba4 La4 Se4 O24\n1.0\n8.409421 0.000000 0.000000\n0.000000 8.412126 0.000000\n0.000000 0.000000 8.425065\nK Ba La Se 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\n0.000000 0.500000 0.000000 K\n0.500000 0.500000 0.000000 Ba\n-0.000000 0.000000 0.500000 Ba\n-0.000000 -0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.750000 0.750000 0.750000 La\n0.250000 0.250000 0.750000 La\n0.250000 0.750000 0.250000 La\n0.750000 0.250000 0.250000 La\n0.250000 0.250000 0.250000 Se\n0.750000 0.750000 0.250000 Se\n0.750000 0.250000 0.750000 Se\n0.250000 0.750000 0.750000 Se\n0.030257 0.238498 0.256728 O\n0.969743 0.761502 0.256728 O\n0.969743 0.238498 0.743272 O\n0.030257 0.761502 0.743272 O\n0.252303 0.030409 0.242596 O\n0.252303 0.969591 0.757404 O\n0.747697 0.969591 0.242596 O\n0.747697 0.030409 0.757404 O\n0.242736 0.257244 0.031006 O\n0.757264 0.257244 0.968994 O\n0.242736 0.742756 0.968994 O\n0.757264 0.742756 0.031006 O\n0.469743 0.261502 0.243272 O\n0.530257 0.738498 0.243272 O\n0.530257 0.261502 0.756728 O\n0.469743 0.738498 0.756728 O\n0.247697 0.469591 0.257404 O\n0.247697 0.530409 0.742596 O\n0.752303 0.530409 0.257404 O\n0.752303 0.469591 0.742596 O\n0.257264 0.242756 0.468994 O\n0.742736 0.242756 0.531006 O\n0.257264 0.757244 0.531006 O\n0.742736 0.757244 0.468994 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"K",
"Ba",
"La",
"Se",
"O"
],
"chemical_system": "Ba-K-La-O-Se",
"density": 5.464047839745011,
"density_atomic": 0.06711426942232597,
"volume": 595.9984418260501,
"volume_molar": 8.972966273542863,
"formula_full": "K4 Ba4 La4 Se4 O24",
"formula_reduced": "KBaLaSeO6",
"formula_anonymous": "ABCDE6",
"energy": -261.75949177,
"energy_per_atom": -6.54398729425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -245.27149177,
"band_gap": 1.9081,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:36.933000Z",
"spacegroup": 48
},
{
"id": "mp-1518288",
"created_at": "2022-09-04T14:40:52.471745Z",
"structure_string": "Sr1 Eu1 Cr1 W1 O6\n1.0\n0.000000 -3.992175 -3.992175\n3.992175 0.000000 -3.992175\n3.992175 -3.992175 -0.000000\nSr Eu Cr W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Eu\n0.000000 -0.000000 -0.000000 Cr\n0.500000 0.500000 0.500000 W\n0.749671 0.250329 0.250329 O\n0.250329 0.749671 0.749671 O\n0.749671 0.250329 0.749671 O\n0.250329 0.749671 0.250329 O\n0.749671 0.749671 0.250329 O\n0.250329 0.250329 0.749671 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Eu",
"Cr",
"W",
"O"
],
"chemical_system": "Cr-Eu-O-Sr-W",
"density": 7.456639833947469,
"density_atomic": 0.07858529582567685,
"volume": 127.25026857674072,
"volume_molar": 7.663190291169374,
"formula_full": "Sr1 Eu1 Cr1 W1 O6",
"formula_reduced": "SrEuCrWO6",
"formula_anonymous": "ABCDE6",
"energy": -91.00262662999998,
"energy_per_atom": -9.100262662999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.44362663,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.7173901,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:12.686000Z",
"spacegroup": 216
},
{
"id": "mp-1223441",
"created_at": "2022-09-04T14:42:45.610932Z",
"structure_string": "K1 Ba1 Li1 Zn1 F6\n1.0\n0.000000 4.106086 4.106086\n4.106086 0.000000 4.106086\n4.106086 4.106086 0.000000\nK Ba Li Zn F\n1 1 1 1 6\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Ba\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Zn\n0.999715 0.500285 0.500285 F\n0.999715 0.999715 0.500285 F\n0.500285 0.999715 0.500285 F\n0.500285 0.500285 0.999715 F\n0.999715 0.500285 0.999715 F\n0.500285 0.999715 0.999715 F\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Ba",
"Li",
"Zn",
"F"
],
"chemical_system": "Ba-F-K-Li-Zn",
"density": 4.350720842321493,
"density_atomic": 0.07222472229944979,
"volume": 138.45674557998515,
"volume_molar": 8.338060110541786,
"formula_full": "K1 Ba1 Li1 Zn1 F6",
"formula_reduced": "KBaLiZnF6",
"formula_anonymous": "ABCDE6",
"energy": -50.50690713,
"energy_per_atom": -5.050690713,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.73490713,
"band_gap": 5.5617,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001141,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:59.273000Z",
"spacegroup": 216
},
{
"id": "mp-1518907",
"created_at": "2022-09-04T14:42:58.129002Z",
"structure_string": "Ba2 Sr2 Dy2 Sb2 O12\n1.0\n5.962205 -0.010966 -0.008011\n-0.012427 5.961509 -0.008652\n-0.012796 -0.013614 8.427176\nBa Sr Dy Sb O\n2 2 2 2 12\ndirect\n0.504227 0.517489 0.249744 Ba\n0.495773 0.482511 0.750256 Ba\n0.996817 0.023157 0.250759 Sr\n0.003183 0.976843 0.749241 Sr\n0.000000 0.500000 -0.000000 Dy\n0.500000 0.000000 0.500000 Dy\n0.500000 0.000000 -0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.234139 0.205775 0.968567 O\n0.258485 0.714812 0.527607 O\n0.765861 0.794225 0.031433 O\n0.741515 0.285188 0.472393 O\n0.287214 0.739884 0.971000 O\n0.203782 0.231549 0.529776 O\n0.712786 0.260116 0.029000 O\n0.796218 0.768451 0.470224 O\n0.436520 0.996235 0.235894 O\n0.048158 0.485141 0.263592 O\n0.563480 0.003765 0.764106 O\n0.951842 0.514859 0.736408 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Dy",
"Sb",
"O"
],
"chemical_system": "Ba-Dy-O-Sb-Sr",
"density": 6.710252351238898,
"density_atomic": 0.06677107929044428,
"volume": 299.53087792699847,
"volume_molar": 9.019085544213809,
"formula_full": "Ba2 Sr2 Dy2 Sb2 O12",
"formula_reduced": "BaSrDySbO6",
"formula_anonymous": "ABCDE6",
"energy": -145.79423131,
"energy_per_atom": -7.289711565499999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -137.55023131,
"band_gap": 3.5497,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:59.218000Z",
"spacegroup": 2
},
{
"id": "mp-1520714",
"created_at": "2022-09-04T14:42:21.779353Z",
"structure_string": "Ba4 Sr4 Eu4 W4 O24\n1.0\n8.572912 0.000000 0.000000\n0.000000 8.644320 0.000000\n0.000000 0.000000 8.631883\nBa Sr Eu W O\n4 4 4 4 24\ndirect\n-0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.750000 Sr\n0.250000 0.750000 0.250000 Sr\n0.750000 0.250000 0.250000 Sr\n0.000000 0.500000 0.500000 Eu\n0.500000 0.000000 0.500000 Eu\n0.500000 0.000000 -0.000000 Eu\n0.000000 0.500000 -0.000000 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\n0.027663 0.209964 0.281692 O\n0.972337 0.790036 0.281692 O\n0.972337 0.209964 0.718308 O\n0.027663 0.790036 0.718308 O\n0.288823 0.029735 0.200020 O\n0.288823 0.970265 0.799980 O\n0.711177 0.970265 0.200020 O\n0.711177 0.029735 0.799980 O\n0.203538 0.292743 0.029696 O\n0.796462 0.292743 0.970304 O\n0.203538 0.707257 0.970304 O\n0.796462 0.707257 0.029696 O\n0.472337 0.290036 0.218308 O\n0.527663 0.709964 0.218308 O\n0.527663 0.290036 0.781692 O\n0.472337 0.709964 0.781692 O\n0.211177 0.470265 0.299980 O\n0.211177 0.529735 0.700020 O\n0.788823 0.529735 0.299980 O\n0.788823 0.470265 0.700020 O\n0.296462 0.207257 0.470304 O\n0.703538 0.207257 0.529696 O\n0.296462 0.792743 0.529696 O\n0.703538 0.792743 0.470304 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Eu",
"W",
"O"
],
"chemical_system": "Ba-Eu-O-Sr-W",
"density": 6.819345660152175,
"density_atomic": 0.06253098142561878,
"volume": 639.6829073853638,
"volume_molar": 9.630651275101762,
"formula_full": "Ba4 Sr4 Eu4 W4 O24",
"formula_reduced": "BaSrEuWO6",
"formula_anonymous": "ABCDE6",
"energy": -343.16464262,
"energy_per_atom": -8.5791160655,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -308.92464262,
"band_gap": 0.0838999999999998,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 28.0000009,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:45.858000Z",
"spacegroup": 48
},
{
"id": "mp-1519849",
"created_at": "2022-09-04T14:43:24.131945Z",
"structure_string": "K1 La1 Zr1 Fe1 O6\n1.0\n0.000000 -4.036332 -4.036332\n4.036332 0.000000 -4.036332\n4.036332 -4.036332 0.000000\nK La Zr Fe O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 La\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Fe\n0.757553 0.242447 0.242447 O\n0.242447 0.757553 0.757553 O\n0.757553 0.242447 0.757553 O\n0.242447 0.757553 0.242447 O\n0.757553 0.757553 0.242447 O\n0.242447 0.242447 0.757553 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"La",
"Zr",
"Fe",
"O"
],
"chemical_system": "Fe-K-La-O-Zr",
"density": 5.316329657067622,
"density_atomic": 0.0760342666087087,
"volume": 131.51964825888956,
"volume_molar": 7.92029834520722,
"formula_full": "K1 La1 Zr1 Fe1 O6",
"formula_reduced": "KLaZrFeO6",
"formula_anonymous": "ABCDE6",
"energy": -80.08480624,
"energy_per_atom": -8.008480624,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -73.70680624,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0000004,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:22.800000Z",
"spacegroup": 216
},
{
"id": "mp-1523076",
"created_at": "2022-09-04T14:41:56.560969Z",
"structure_string": "Ba1 Eu1 In1 Bi1 O6\n1.0\n0.000000 -4.270253 -4.270253\n4.270253 0.000000 -4.270253\n4.270253 -4.270253 -0.000000\nBa Eu In 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 In\n0.000000 0.000000 0.000000 Bi\n0.751102 0.248898 0.248898 O\n0.248898 0.751102 0.751102 O\n0.751102 0.248898 0.751102 O\n0.248898 0.751102 0.248898 O\n0.751102 0.751102 0.248898 O\n0.248898 0.248898 0.751102 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Eu",
"In",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-Eu-In-O",
"density": 7.560614080868387,
"density_atomic": 0.06421096324698931,
"volume": 155.736645182143,
"volume_molar": 9.37867998777041,
"formula_full": "Ba1 Eu1 In1 Bi1 O6",
"formula_reduced": "BaEuInBiO6",
"formula_anonymous": "ABCDE6",
"energy": -71.08285366,
"energy_per_atom": -7.108285366,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.96085366,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.8181389,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.561000Z",
"spacegroup": 216
}
]
}