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=is_magnetic&page=4",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_magnetic&page=2",
"results": [
{
"id": "mp-27683",
"created_at": "2022-09-04T14:39:19.523047Z",
"structure_string": "Li1 Sn1 S2\n1.0\n1.886297 -3.267162 0.000000\n1.886297 3.267162 0.000000\n0.000000 0.000000 6.508321\nLi Sn S\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Sn\n0.333333 0.666667 0.255847 S\n0.666667 0.333333 0.744153 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Sn",
"S"
],
"chemical_system": "Li-S-Sn",
"density": 3.9284580909698397,
"density_atomic": 0.04986321623715096,
"volume": 80.2194543764662,
"volume_molar": 12.077321148636937,
"formula_full": "Li1 Sn1 S2",
"formula_reduced": "LiSnS2",
"formula_anonymous": "ABC2",
"energy": -17.88955351,
"energy_per_atom": -4.4723883775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.88355351,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010489,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:40.898000Z",
"spacegroup": 164
},
{
"id": "mp-1037184",
"created_at": "2022-09-04T14:39:19.440214Z",
"structure_string": "Ba1 Y1 Mg30 O32\n1.0\n8.738488 0.000000 0.000000\n0.000000 8.738488 0.000000\n0.000000 0.000000 8.728131\nBa Y Mg O\n1 1 30 32\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 Y\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.249286 0.249286 0.000000 Mg\n0.750714 0.249286 0.000000 Mg\n0.249286 0.750714 0.000000 Mg\n0.750714 0.750714 0.000000 Mg\n0.250343 0.250343 0.500000 Mg\n0.749657 0.250343 0.500000 Mg\n0.250343 0.749657 0.500000 Mg\n0.749657 0.749657 0.500000 Mg\n0.256132 0.000000 0.257391 Mg\n0.743868 0.000000 0.257391 Mg\n0.243373 0.500000 0.258761 Mg\n0.756627 0.500000 0.258761 Mg\n0.256132 0.000000 0.742609 Mg\n0.743868 0.000000 0.742609 Mg\n0.243373 0.500000 0.741239 Mg\n0.756627 0.500000 0.741239 Mg\n0.000000 0.256132 0.257391 Mg\n0.500000 0.243373 0.258761 Mg\n0.000000 0.743868 0.257391 Mg\n0.500000 0.756627 0.258761 Mg\n0.000000 0.256132 0.742609 Mg\n0.500000 0.243373 0.741239 Mg\n0.000000 0.743868 0.742609 Mg\n0.500000 0.756627 0.741239 Mg\n0.000000 0.000000 0.258802 O\n0.500000 0.000000 0.257284 O\n0.000000 0.500000 0.257284 O\n0.500000 0.500000 0.278872 O\n0.000000 0.000000 0.741198 O\n0.500000 0.000000 0.742716 O\n0.000000 0.500000 0.742716 O\n0.500000 0.500000 0.721128 O\n0.250136 0.250136 0.249089 O\n0.749864 0.250136 0.249089 O\n0.250136 0.749864 0.249089 O\n0.749864 0.749864 0.249089 O\n0.250136 0.250136 0.750911 O\n0.749864 0.250136 0.750911 O\n0.250136 0.749864 0.750911 O\n0.749864 0.749864 0.750911 O\n0.254584 0.000000 0.000000 O\n0.745416 0.000000 0.000000 O\n0.221919 0.500000 0.000000 O\n0.778081 0.500000 0.000000 O\n0.249855 0.000000 0.500000 O\n0.750145 0.000000 0.500000 O\n0.243902 0.500000 0.500000 O\n0.756098 0.500000 0.500000 O\n0.000000 0.254584 0.000000 O\n0.500000 0.221919 0.000000 O\n0.000000 0.745416 0.000000 O\n0.500000 0.778081 0.000000 O\n0.000000 0.249855 0.500000 O\n0.500000 0.243902 0.500000 O\n0.000000 0.750145 0.500000 O\n0.500000 0.756098 0.500000 O\n",
"nsites": 64,
"nelements": 4,
"elements": [
"Ba",
"Y",
"Mg",
"O"
],
"chemical_system": "Ba-Mg-O-Y",
"density": 3.65588907016114,
"density_atomic": 0.09602540105365923,
"volume": 666.4903171217858,
"volume_molar": 6.271403913881925,
"formula_full": "Ba1 Y1 Mg30 O32",
"formula_reduced": "BaYMg30O32",
"formula_anonymous": "ABC30D32",
"energy": -403.00030598,
"energy_per_atom": -6.2968797809375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -381.01630598,
"band_gap": 0.3551000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001333,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.493000Z",
"spacegroup": 123
},
{
"id": "mp-1183728",
"created_at": "2022-09-04T14:39:19.446653Z",
"structure_string": "Co4 S6\n1.0\n5.292726 -2.851292 0.000000\n5.292726 2.851292 0.000000\n3.756682 0.000000 4.693630\nCo S\n4 6\ndirect\n0.850110 0.850110 0.850110 Co\n0.649890 0.649890 0.649890 Co\n0.350110 0.350110 0.350110 Co\n0.149890 0.149890 0.149890 Co\n0.552830 0.947170 0.250000 S\n0.947170 0.250000 0.552830 S\n0.250000 0.552830 0.947170 S\n0.750000 0.447170 0.052830 S\n0.052830 0.750000 0.447170 S\n0.447170 0.052830 0.750000 S\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Co",
"S"
],
"chemical_system": "Co-S",
"density": 5.018309938476182,
"density_atomic": 0.07058949032624291,
"volume": 141.6641479316974,
"volume_molar": 8.531214394901447,
"formula_full": "Co4 S6",
"formula_reduced": "Co2S3",
"formula_anonymous": "A2B3",
"energy": -60.3741071,
"energy_per_atom": -6.0374107100000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -57.3561071,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001629,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.738000Z",
"spacegroup": 167
},
{
"id": "mp-1539317",
"created_at": "2022-09-04T14:39:19.678810Z",
"structure_string": "Ta4 O10\n1.0\n3.871206 -0.000002 0.000001\n0.000002 3.904435 -0.000105\n0.000005 0.000347 13.128448\nTa O\n4 10\ndirect\n0.018571 0.976674 0.145832 Ta\n0.518571 0.023324 0.354167 Ta\n0.518570 0.023321 0.645831 Ta\n0.018570 0.976681 0.854169 Ta\n0.518573 0.998334 0.184978 O\n0.018573 0.001661 0.315023 O\n0.018572 0.001664 0.684977 O\n0.518572 0.998341 0.815022 O\n0.018566 0.493022 0.851538 O\n0.518568 0.506972 0.648462 O\n0.518568 0.506977 0.351538 O\n0.518574 0.005038 0.500000 O\n0.018574 0.994962 0.999999 O\n0.018569 0.493027 0.148461 O\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Ta",
"O"
],
"chemical_system": "O-Ta",
"density": 7.395679992592106,
"density_atomic": 0.07055213613974512,
"volume": 198.43481382717744,
"volume_molar": 8.535731289654692,
"formula_full": "Ta4 O10",
"formula_reduced": "Ta2O5",
"formula_anonymous": "A2B5",
"energy": -143.60872803,
"energy_per_atom": -10.257766287857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -136.73872803,
"band_gap": 2.3196,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001046,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.802000Z",
"spacegroup": 59
},
{
"id": "mp-1194400",
"created_at": "2022-09-04T14:39:19.476217Z",
"structure_string": "Ca4 Al2 H4 O2 F14\n1.0\n5.917395 0.000000 0.000000\n1.720318 5.679648 0.000000\n2.025488 1.324594 9.080913\nCa Al H O F\n4 2 4 2 14\ndirect\n0.415519 0.415624 0.354774 Ca\n0.584481 0.584376 0.645226 Ca\n0.842484 0.842673 0.207009 Ca\n0.157516 0.157327 0.792991 Ca\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.059178 0.250554 0.109285 H\n0.940822 0.749446 0.890715 H\n0.275651 0.033925 0.111543 H\n0.724349 0.966075 0.888457 H\n0.119120 0.091273 0.080438 O\n0.880880 0.908727 0.919562 O\n0.592074 0.644750 0.123766 F\n0.407926 0.355250 0.876234 F\n0.197367 0.560355 0.113712 F\n0.802633 0.439645 0.886288 F\n0.575930 0.218831 0.126589 F\n0.424070 0.781169 0.873411 F\n0.176046 0.176761 0.372487 F\n0.823954 0.823239 0.627513 F\n0.759273 0.111917 0.385980 F\n0.240727 0.888083 0.614020 F\n0.115698 0.760720 0.381270 F\n0.884302 0.239280 0.618730 F\n0.648874 0.636451 0.396886 F\n0.351126 0.363549 0.603114 F\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Ca",
"Al",
"H",
"O",
"F"
],
"chemical_system": "Al-Ca-F-H-O",
"density": 2.8090253820655873,
"density_atomic": 0.08519063428273077,
"volume": 305.19786850877495,
"volume_molar": 7.069017399276208,
"formula_full": "Ca4 Al2 H4 O2 F14",
"formula_reduced": "Ca2AlH2OF7",
"formula_anonymous": "ABC2D2E7",
"energy": -154.73553186,
"energy_per_atom": -5.95136661,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -146.89353186,
"band_gap": 6.5056,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0365783,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:33.196000Z",
"spacegroup": 2
},
{
"id": "mp-861479",
"created_at": "2022-09-04T14:39:19.480480Z",
"structure_string": "Pr1 Y1 Mg2\n1.0\n0.000000 3.853889 3.853889\n3.853889 0.000000 3.853889\n3.853889 3.853889 0.000000\nPr Y Mg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Y\n0.750000 0.750000 0.750000 Mg\n0.250000 0.250000 0.250000 Mg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pr",
"Y",
"Mg"
],
"chemical_system": "Mg-Pr-Y",
"density": 4.038567859199829,
"density_atomic": 0.03494076344176119,
"volume": 114.47946770445208,
"volume_molar": 17.235286716152114,
"formula_full": "Pr1 Y1 Mg2",
"formula_reduced": "PrYMg2",
"formula_anonymous": "ABC2",
"energy": -14.90166081,
"energy_per_atom": -3.7254152025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.90166081,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001258,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.341000Z",
"spacegroup": 225
},
{
"id": "mp-558134",
"created_at": "2022-09-04T14:39:19.481106Z",
"structure_string": "Tl2 F2\n1.0\n2.708105 -2.737469 0.000000\n2.708105 2.737469 0.000000\n0.000000 0.000000 6.316160\nTl F\n2 2\ndirect\n0.470179 0.029821 0.746475 Tl\n0.970179 0.529821 0.253525 Tl\n0.447821 0.052179 0.352556 F\n0.947821 0.552179 0.647444 F\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tl",
"F"
],
"chemical_system": "F-Tl",
"density": 7.921891020860189,
"density_atomic": 0.0427132053754406,
"volume": 93.64785351136244,
"volume_molar": 14.099013892932122,
"formula_full": "Tl2 F2",
"formula_reduced": "TlF",
"formula_anonymous": "AB",
"energy": -16.39121819,
"energy_per_atom": -4.0978045475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.46721819,
"band_gap": 3.0167999999999995,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 7.19e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.850000Z",
"spacegroup": 39
},
{
"id": "mp-1104125",
"created_at": "2022-09-04T14:39:19.452755Z",
"structure_string": "Y4 Cd2 Se8\n1.0\n0.000000 5.916320 5.916320\n5.916320 0.000000 5.916320\n5.916320 5.916320 0.000000\nY Cd Se\n4 2 8\ndirect\n0.125000 0.625000 0.625000 Y\n0.625000 0.125000 0.625000 Y\n0.625000 0.625000 0.125000 Y\n0.625000 0.625000 0.625000 Y\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Cd\n0.854417 0.381861 0.381861 Se\n0.381861 0.854417 0.381861 Se\n0.381861 0.381861 0.854417 Se\n0.381861 0.381861 0.381861 Se\n0.395583 0.868139 0.868139 Se\n0.868139 0.395583 0.868139 Se\n0.868139 0.868139 0.395583 Se\n0.868139 0.868139 0.868139 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Y",
"Cd",
"Se"
],
"chemical_system": "Cd-Se-Y",
"density": 4.859724906303604,
"density_atomic": 0.03380205251952687,
"volume": 414.1760324143759,
"volume_molar": 17.81590261869782,
"formula_full": "Y4 Cd2 Se8",
"formula_reduced": "Y2CdSe4",
"formula_anonymous": "AB2C4",
"energy": -80.71281295,
"energy_per_atom": -5.765200925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.93681295,
"band_gap": 0.6103999999999998,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0006794,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:40.599000Z",
"spacegroup": 227
},
{
"id": "mp-16261",
"created_at": "2022-09-04T14:39:19.453850Z",
"structure_string": "Ca1 Ge2 Rh2\n1.0\n-2.093655 2.093655 5.250675\n2.093655 -2.093655 5.250675\n2.093655 2.093655 -5.250675\nCa Ge Rh\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.373904 0.373904 0.000000 Ge\n0.626096 0.626096 0.000000 Ge\n0.250000 0.750000 0.500000 Rh\n0.750000 0.250000 0.500000 Rh\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Ge",
"Rh"
],
"chemical_system": "Ca-Ge-Rh",
"density": 7.055505926458025,
"density_atomic": 0.05431060467065107,
"volume": 92.06305159592436,
"volume_molar": 11.08833311011598,
"formula_full": "Ca1 Ge2 Rh2",
"formula_reduced": "Ca(GeRh)2",
"formula_anonymous": "AB2C2",
"energy": -29.97711503,
"energy_per_atom": -5.995423006,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.97711503,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011117,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:33.140000Z",
"spacegroup": 139
},
{
"id": "mp-562961",
"created_at": "2022-09-04T14:39:19.489373Z",
"structure_string": "Cs4 U3 Mo3 O20\n1.0\n7.773173 0.000000 0.000000\n0.334971 8.048361 0.000000\n1.324497 1.811059 9.633037\nCs U Mo O\n4 3 3 20\ndirect\n0.361770 0.265481 0.751066 Cs\n0.486732 0.784885 0.039431 Cs\n0.476140 0.252558 0.268660 Cs\n0.686125 0.714178 0.507305 Cs\n0.984669 0.534725 0.156694 U\n0.975712 0.021278 0.145457 U\n0.012822 0.852072 0.802746 U\n0.855278 0.349764 0.883405 Mo\n0.199612 0.725413 0.443110 Mo\n0.913639 0.194809 0.499241 Mo\n0.742383 0.971553 0.188178 O\n0.967591 0.546282 0.905213 O\n0.686181 0.196212 0.544017 O\n0.055750 0.736500 0.603967 O\n0.043444 0.098117 0.635502 O\n0.991205 0.392811 0.392289 O\n0.752209 0.577491 0.209685 O\n0.999914 0.802562 0.031086 O\n0.210812 0.065265 0.105859 O\n0.867782 0.387992 0.700428 O\n0.952281 0.126692 0.907879 O\n0.347859 0.891356 0.407980 O\n0.905518 0.292743 0.113979 O\n0.630060 0.354813 0.937664 O\n0.218848 0.492925 0.114359 O\n0.777581 0.855227 0.793485 O\n0.250412 0.856636 0.797804 O\n0.072950 0.739117 0.293961 O\n0.328975 0.539289 0.469560 O\n0.954216 0.046204 0.381892 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Cs",
"U",
"Mo",
"O"
],
"chemical_system": "Cs-Mo-O-U",
"density": 5.107125768263568,
"density_atomic": 0.04977969655338279,
"volume": 602.6553409747803,
"volume_molar": 12.09758431038641,
"formula_full": "Cs4 U3 Mo3 O20",
"formula_reduced": "Cs4U3Mo3O20",
"formula_anonymous": "A3B3C4D20",
"energy": -251.95054554,
"energy_per_atom": -8.398351518,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -228.60454554,
"band_gap": 2.0623,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009745,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:32.838000Z",
"spacegroup": 1
},
{
"id": "mp-768867",
"created_at": "2022-09-04T14:39:19.492951Z",
"structure_string": "Na4 Sn2 C2 S2 O14\n1.0\n7.106612 0.000000 0.000000\n0.000000 5.476595 0.000000\n0.000000 0.436907 9.369289\nNa Sn C S O\n4 2 2 2 14\ndirect\n0.495937 0.234955 0.789955 Na\n0.004063 0.234955 0.789955 Na\n0.504063 0.765045 0.210045 Na\n0.995937 0.765045 0.210045 Na\n0.750000 0.766553 0.625969 Sn\n0.250000 0.233447 0.374031 Sn\n0.750000 0.736831 0.917336 C\n0.250000 0.263169 0.082664 C\n0.250000 0.731934 0.606479 S\n0.750000 0.268066 0.393521 S\n0.250000 0.266144 0.948118 O\n0.750000 0.945705 0.838510 O\n0.750000 0.536602 0.843694 O\n0.081217 0.859399 0.663060 O\n0.418783 0.859399 0.663060 O\n0.750000 0.245168 0.554800 O\n0.250000 0.470331 0.653386 O\n0.750000 0.529669 0.346614 O\n0.250000 0.754832 0.445200 O\n0.581217 0.140601 0.336940 O\n0.918783 0.140601 0.336940 O\n0.250000 0.463398 0.156306 O\n0.250000 0.054295 0.161490 O\n0.750000 0.733856 0.051882 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Na",
"Sn",
"C",
"S",
"O"
],
"chemical_system": "C-Na-O-S-Sn",
"density": 2.9213314786837095,
"density_atomic": 0.06581598359817416,
"volume": 364.6530627959163,
"volume_molar": 9.14996696967553,
"formula_full": "Na4 Sn2 C2 S2 O14",
"formula_reduced": "Na2SnCSO7",
"formula_anonymous": "ABCD2E7",
"energy": -157.13643076,
"energy_per_atom": -6.547351281666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -147.51843076,
"band_gap": 3.4883,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001871,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.721000Z",
"spacegroup": 11
},
{
"id": "mp-1233469",
"created_at": "2022-09-04T14:39:19.592587Z",
"structure_string": "Ca1 Y4 Bi4 O12\n1.0\n6.496268 0.307699 0.000003\n0.343804 6.570170 -0.000005\n0.000003 -0.000007 8.386183\nCa Y Bi O\n1 4 4 12\ndirect\n0.485704 0.238492 0.250000 Ca\n0.935743 0.964276 0.750001 Y\n0.627866 0.672726 0.250000 Y\n0.552832 0.487635 0.750000 Y\n0.028682 0.011861 0.249999 Y\n0.004507 0.486010 0.492560 Bi\n0.415241 0.957446 0.569819 Bi\n0.415241 0.957446 0.930181 Bi\n0.004507 0.486010 0.007440 Bi\n0.700154 0.395055 0.417334 O\n0.095377 0.095563 0.539016 O\n0.860554 0.795061 0.089711 O\n0.350911 0.636337 0.943650 O\n0.350912 0.636336 0.556350 O\n0.860553 0.795061 0.410289 O\n0.095376 0.095562 0.960984 O\n0.700154 0.395055 0.082666 O\n0.136463 0.360323 0.250001 O\n0.658023 0.162444 0.750000 O\n0.355714 0.916714 0.250000 O\n0.823816 0.652504 0.750000 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Ca",
"Y",
"Bi",
"O"
],
"chemical_system": "Bi-Ca-O-Y",
"density": 6.620865651027896,
"density_atomic": 0.05881555144749554,
"volume": 357.0484248327865,
"volume_molar": 10.239027964187239,
"formula_full": "Ca1 Y4 Bi4 O12",
"formula_reduced": "CaY4(BiO3)4",
"formula_anonymous": "AB4C4D12",
"energy": -156.50011988,
"energy_per_atom": -7.452386660952381,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -148.25611988,
"band_gap": 1.2218999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.049000Z",
"spacegroup": 6
}
]
}