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=formation_energy&page=11523",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formation_energy&page=11521",
"results": [
{
"id": "mp-1326744",
"created_at": "2022-09-04T14:40:08.071506Z",
"structure_string": "Tl4 Ag32 Te22\n1.0\n11.411344 0.000000 0.000000\n-5.658255 9.928268 0.000000\n-0.004046 -6.529502 13.987760\nTl Ag Te\n4 32 22\ndirect\n0.191264 0.804032 0.578062 Tl\n0.309468 0.693790 0.914378 Tl\n0.692603 0.305708 0.091269 Tl\n0.791477 0.196242 0.405012 Tl\n0.600937 0.898444 0.078372 Ag\n0.234995 0.188206 0.229799 Ag\n0.384861 0.605948 0.163758 Ag\n0.091801 0.603176 0.086427 Ag\n0.681552 0.722370 0.270550 Ag\n0.021021 0.263217 0.240417 Ag\n0.409806 0.098856 0.416536 Ag\n0.486629 0.989759 0.244864 Ag\n0.178975 0.767670 0.229934 Ag\n0.904201 0.885727 0.420405 Ag\n0.884434 0.407611 0.576551 Ag\n0.196271 0.388126 0.413119 Ag\n0.796351 0.604684 0.580870 Ag\n0.388463 0.207365 0.582024 Ag\n0.110923 0.599662 0.418694 Ag\n0.093856 0.109076 0.579641 Ag\n0.823524 0.226450 0.772356 Ag\n0.513993 0.012733 0.747043 Ag\n0.399781 0.611831 0.580213 Ag\n0.592894 0.905880 0.578343 Ag\n0.986341 0.752207 0.746475 Ag\n0.181437 0.181302 0.776075 Ag\n0.910109 0.381580 0.925410 Ag\n0.610026 0.383286 0.845315 Ag\n0.775776 0.822886 0.775171 Ag\n0.251158 0.487159 0.751048 Ag\n0.397321 0.094949 0.920294 Ag\n0.889007 0.112270 0.085639 Ag\n0.612832 0.599378 0.924090 Ag\n0.885549 0.697201 0.082236 Ag\n0.309055 0.123083 0.088146 Ag\n0.884985 0.113234 0.655907 Ag\n0.045905 0.958355 0.131343 Te\n0.485496 0.747098 0.749254 Te\n0.013406 0.514886 0.750161 Te\n0.253141 0.987501 0.748349 Te\n0.619414 0.655624 0.090259 Te\n0.149184 0.388859 0.078064 Te\n0.334582 0.865686 0.081272 Te\n0.877261 0.631402 0.415761 Te\n0.453703 0.554333 0.361503 Te\n0.168087 0.119296 0.413111 Te\n0.627470 0.170886 0.581405 Te\n0.371200 0.830074 0.412984 Te\n0.827573 0.876908 0.581918 Te\n0.550745 0.453751 0.644238 Te\n0.121172 0.371069 0.583983 Te\n0.665623 0.128770 0.915269 Te\n0.871057 0.618801 0.916453 Te\n0.379553 0.335442 0.919889 Te\n0.757418 0.016474 0.250569 Te\n0.975179 0.479468 0.255333 Te\n0.513472 0.250850 0.246169 Te\n0.955284 0.046672 0.861870 Te\n",
"nsites": 58,
"nelements": 3,
"elements": [
"Tl",
"Ag",
"Te"
],
"chemical_system": "Ag-Te-Tl",
"density": 7.4149820549298076,
"density_atomic": 0.036599026357256745,
"volume": 1584.7416112614683,
"volume_molar": 16.4543742262858,
"formula_full": "Tl4 Ag32 Te22",
"formula_reduced": "Tl2Ag16Te11",
"formula_anonymous": "A2B11C16",
"energy": -146.26788148999998,
"energy_per_atom": -2.5218600256896546,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -136.98388149,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000363,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:55.140000Z",
"spacegroup": 1
},
{
"id": "mp-974565",
"created_at": "2022-09-04T14:40:08.217554Z",
"structure_string": "Re1 P3\n1.0\n0.000000 3.006499 3.006499\n3.006499 0.000000 3.006499\n3.006499 3.006499 0.000000\nRe P\n1 3\ndirect\n0.000000 0.000000 0.000000 Re\n0.250000 0.250000 0.250000 P\n0.750000 0.750000 0.750000 P\n0.500000 0.500000 0.500000 P\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Re",
"P"
],
"chemical_system": "P-Re",
"density": 8.527854057529911,
"density_atomic": 0.0735947449380745,
"volume": 54.35170681501453,
"volume_molar": 8.182840724656721,
"formula_full": "Re1 P3",
"formula_reduced": "ReP3",
"formula_anonymous": "AB3",
"energy": -26.77290126,
"energy_per_atom": -6.693225315,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.77290126,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011611,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:55.750000Z",
"spacegroup": 225
},
{
"id": "mp-1212738",
"created_at": "2022-09-04T14:40:08.036828Z",
"structure_string": "Gd12 Si4 Br12\n1.0\n-5.910554 5.910554 5.910554\n5.910554 -5.910554 5.910554\n5.910554 5.910554 -5.910554\nGd Si Br\n12 4 12\ndirect\n0.474031 0.487015 0.237015 Gd\n0.750000 0.237015 0.262985 Gd\n0.750000 0.012985 0.487015 Gd\n0.237015 0.474031 0.487015 Gd\n0.262985 0.750000 0.237015 Gd\n0.025969 0.262985 0.012985 Gd\n0.012985 0.025969 0.262985 Gd\n0.487015 0.750000 0.012985 Gd\n0.487015 0.237015 0.474031 Gd\n0.012985 0.487015 0.750000 Gd\n0.262985 0.012985 0.025969 Gd\n0.237015 0.262985 0.750000 Gd\n0.250000 0.250000 0.250000 Si\n0.500000 0.000000 0.250000 Si\n0.000000 0.250000 0.500000 Si\n0.250000 0.500000 0.000000 Si\n0.250000 0.754714 0.745286 Br\n0.509427 0.504714 0.754714 Br\n0.990572 0.745286 0.995286 Br\n0.745286 0.250000 0.754714 Br\n0.995286 0.990572 0.745286 Br\n0.250000 0.995286 0.504714 Br\n0.754714 0.509427 0.504714 Br\n0.504714 0.250000 0.995286 Br\n0.754714 0.745286 0.250000 Br\n0.745286 0.995286 0.990573 Br\n0.995286 0.504714 0.250000 Br\n0.504714 0.754714 0.509427 Br\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Gd",
"Si",
"Br"
],
"chemical_system": "Br-Gd-Si",
"density": 5.947447297664547,
"density_atomic": 0.033901075131910284,
"volume": 825.932507775963,
"volume_molar": 17.763863643166587,
"formula_full": "Gd12 Si4 Br12",
"formula_reduced": "Gd3SiBr3",
"formula_anonymous": "AB3C3",
"energy": -256.63783145,
"energy_per_atom": -9.165636837500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -250.22983145,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 84.3728754,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.754000Z",
"spacegroup": 214
},
{
"id": "mp-1184132",
"created_at": "2022-09-04T14:40:08.040018Z",
"structure_string": "Cu1 Sn3\n1.0\n-2.239903 2.239903 4.870704\n2.239903 -2.239903 4.870704\n2.239903 2.239903 -4.870704\nCu Sn\n1 3\ndirect\n0.000000 0.000000 0.000000 Cu\n0.750000 0.250000 0.500000 Sn\n0.250000 0.750000 0.500000 Sn\n0.500000 0.500000 0.000000 Sn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cu",
"Sn"
],
"chemical_system": "Cu-Sn",
"density": 7.129401605205377,
"density_atomic": 0.04092133933410907,
"volume": 97.74851129239285,
"volume_molar": 14.71638235208098,
"formula_full": "Cu1 Sn3",
"formula_reduced": "CuSn3",
"formula_anonymous": "AB3",
"energy": -15.19150532,
"energy_per_atom": -3.79787633,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.19150532,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00241,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.109000Z",
"spacegroup": 139
},
{
"id": "mp-1112323",
"created_at": "2022-09-04T14:40:08.041344Z",
"structure_string": "Cs2 Y1 Ag1 Br6\n1.0\n0.000000 5.702676 5.702676\n5.702676 0.000000 5.702676\n5.702676 5.702676 0.000000\nCs Y Ag Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Ag\n0.746122 0.253878 0.253878 Br\n0.253878 0.253878 0.746122 Br\n0.253878 0.746122 0.746122 Br\n0.253878 0.746122 0.253878 Br\n0.746122 0.253878 0.746122 Br\n0.746122 0.746122 0.253878 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Y",
"Ag",
"Br"
],
"chemical_system": "Ag-Br-Cs-Y",
"density": 4.21733441208544,
"density_atomic": 0.02696087056062031,
"volume": 370.9079043837048,
"volume_molar": 22.336596091952913,
"formula_full": "Cs2 Y1 Ag1 Br6",
"formula_reduced": "Cs2YAgBr6",
"formula_anonymous": "ABC2D6",
"energy": -39.99396956,
"energy_per_atom": -3.9993969559999996,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.78996956,
"band_gap": 3.335,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000402,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.899000Z",
"spacegroup": 225
},
{
"id": "mp-1095622",
"created_at": "2022-09-04T14:40:08.044974Z",
"structure_string": "Zr1 Mo2 O8\n1.0\n3.001548 5.088986 0.000000\n-3.001548 5.088986 0.000000\n0.000000 0.195187 6.030832\nZr Mo O\n1 2 8\ndirect\n0.000000 0.000000 0.000000 Zr\n0.328761 0.328761 0.710456 Mo\n0.671239 0.671239 0.289544 Mo\n0.354492 0.856069 0.164182 O\n0.856069 0.354492 0.164182 O\n0.645508 0.143931 0.835818 O\n0.143931 0.645508 0.835818 O\n0.150638 0.150638 0.749917 O\n0.849362 0.849362 0.250083 O\n0.362072 0.362072 0.427539 O\n0.637928 0.637928 0.572461 O\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Zr",
"Mo",
"O"
],
"chemical_system": "Mo-O-Zr",
"density": 3.7052025467792626,
"density_atomic": 0.05970475354269433,
"volume": 184.23993647564424,
"volume_molar": 10.086534827907164,
"formula_full": "Zr1 Mo2 O8",
"formula_reduced": "Zr(MoO4)2",
"formula_anonymous": "AB2C8",
"energy": -96.79752283,
"energy_per_atom": -8.799774802727272,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -84.89752283,
"band_gap": 3.1883,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003826,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:55.977000Z",
"spacegroup": 12
},
{
"id": "mp-1100440",
"created_at": "2022-09-04T14:40:08.066608Z",
"structure_string": "Na1 Sc1 Sn1\n1.0\n0.000000 3.503694 3.503694\n3.503694 0.000000 3.503694\n3.503694 3.503694 0.000000\nNa Sc Sn\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Na\n0.250000 0.250000 0.250000 Sc\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Na",
"Sc",
"Sn"
],
"chemical_system": "Na-Sc-Sn",
"density": 3.603145556230175,
"density_atomic": 0.0348748823133896,
"volume": 86.02179565916994,
"volume_molar": 17.26784539624928,
"formula_full": "Na1 Sc1 Sn1",
"formula_reduced": "NaScSn",
"formula_anonymous": "ABC",
"energy": -11.56881101,
"energy_per_atom": -3.8562703366666664,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.56881101,
"band_gap": 0.3039999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003618,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.703000Z",
"spacegroup": 216
},
{
"id": "mp-1569230",
"created_at": "2022-09-04T14:40:08.068357Z",
"structure_string": "Li4 Co4 P8 O28\n1.0\n-0.031212 -0.002439 5.056300\n14.667856 -7.512654 2.438852\n2.944899 7.015872 2.505796\nLi Co P O\n4 4 8 28\ndirect\n0.999935 0.481072 0.378016 Li\n0.495842 0.978574 0.876479 Li\n0.891419 0.230366 0.126907 Li\n0.390719 0.730810 0.630019 Li\n0.729958 0.752693 0.250342 Co\n0.028183 0.506343 0.993528 Co\n0.226079 0.255375 0.743160 Co\n0.519582 0.003793 0.491653 Co\n0.405598 0.345649 0.044975 P\n0.905596 0.844838 0.542561 P\n0.955997 0.093480 0.792878 P\n0.460814 0.594922 0.292022 P\n0.087009 0.150925 0.449078 P\n0.596873 0.654275 0.953080 P\n0.558777 0.403653 0.701515 P\n0.050250 0.899532 0.199597 P\n0.008314 0.174923 0.869100 O\n0.513159 0.676642 0.370152 O\n0.197818 0.426345 0.120650 O\n0.693262 0.924392 0.618999 O\n0.330870 0.078148 0.383922 O\n0.838980 0.580598 0.888154 O\n0.445089 0.331103 0.636902 O\n0.951173 0.824470 0.131886 O\n0.646960 0.370615 0.871043 O\n0.144378 0.870119 0.369779 O\n0.862652 0.117744 0.618393 O\n0.368623 0.619392 0.118587 O\n0.243692 0.287395 0.971572 O\n0.744282 0.784891 0.470586 O\n0.246563 0.036223 0.719775 O\n0.749664 0.537257 0.222078 O\n0.193148 0.219848 0.532808 O\n0.704617 0.723289 0.034607 O\n0.306162 0.472582 0.784546 O\n0.791833 0.966916 0.282395 O\n0.555910 0.308979 0.163413 O\n0.053212 0.807724 0.661784 O\n0.725288 0.056234 0.911528 O\n0.228106 0.559578 0.413781 O\n0.805968 0.428581 0.571555 O\n0.291541 0.926182 0.067454 O\n0.944413 0.176299 0.319221 O\n0.459905 0.679719 0.820605 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Li",
"Co",
"P",
"O"
],
"chemical_system": "Co-Li-O-P",
"density": 2.514880551768091,
"density_atomic": 0.06946724000936919,
"volume": 633.3920851622381,
"volume_molar": 8.669037029811147,
"formula_full": "Li4 Co4 P8 O28",
"formula_reduced": "LiCoP2O7",
"formula_anonymous": "ABC2D7",
"energy": -319.6262555,
"energy_per_atom": -7.264233079545455,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -293.8382555,
"band_gap": 0.8244,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0002374,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.844000Z",
"spacegroup": 1
},
{
"id": "mp-1219558",
"created_at": "2022-09-04T14:40:08.093690Z",
"structure_string": "Sb2 Pb4 S4 I6\n1.0\n2.261843 -7.406097 0.000000\n2.261843 7.406097 0.000000\n0.000000 0.000000 16.489768\nSb Pb S I\n2 4 4 6\ndirect\n0.655330 0.344670 0.016784 Sb\n0.344670 0.655330 0.516784 Sb\n0.304313 0.695687 0.239093 Pb\n0.695687 0.304313 0.739093 Pb\n0.375504 0.624496 0.971421 Pb\n0.624496 0.375504 0.471421 Pb\n0.774376 0.225624 0.914373 S\n0.223420 0.776580 0.075967 S\n0.776580 0.223420 0.575967 S\n0.225624 0.774376 0.414373 S\n0.654489 0.345511 0.247276 I\n0.345511 0.654489 0.747276 I\n0.934832 0.065168 0.124705 I\n0.058979 0.941021 0.890182 I\n0.941021 0.058979 0.390182 I\n0.065168 0.934832 0.624705 I\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Sb",
"Pb",
"S",
"I"
],
"chemical_system": "I-Pb-S-Sb",
"density": 5.8972999422484245,
"density_atomic": 0.02896166925122749,
"volume": 552.4543444374108,
"volume_molar": 20.793486410472568,
"formula_full": "Sb2 Pb4 S4 I6",
"formula_reduced": "SbPb2S2I3",
"formula_anonymous": "AB2C2D3",
"energy": -60.68085896,
"energy_per_atom": -3.792553685,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -56.39485896,
"band_gap": 1.4018999999999997,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009076,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.335000Z",
"spacegroup": 36
},
{
"id": "mp-1225261",
"created_at": "2022-09-04T14:40:08.107355Z",
"structure_string": "Eu1 Cd3 S4\n1.0\n-3.051428 -3.051428 0.000000\n0.000000 3.051428 -3.051428\n9.122616 -6.071188 -9.122616\nEu Cd S\n1 3 4\ndirect\n0.251053 0.748947 0.753158 Eu\n0.003491 0.996509 0.010473 Cd\n0.749641 0.250359 0.248922 Cd\n0.495872 0.504128 0.487617 Cd\n0.064231 0.935769 0.192693 S\n0.810868 0.189132 0.432603 S\n0.557345 0.442655 0.672035 S\n0.317500 0.682500 0.952500 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Eu",
"Cd",
"S"
],
"chemical_system": "Cd-Eu-S",
"density": 4.528453638941398,
"density_atomic": 0.03533329154679738,
"volume": 226.41536210699064,
"volume_molar": 17.04381476043335,
"formula_full": "Eu1 Cd3 S4",
"formula_reduced": "EuCd3S4",
"formula_anonymous": "AB3C4",
"energy": -38.85070978,
"energy_per_atom": -4.8563387225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.83870978,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.9697517,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.944000Z",
"spacegroup": 160
},
{
"id": "mp-1105296",
"created_at": "2022-09-04T14:40:08.221674Z",
"structure_string": "Sr4 Ge12\n1.0\n-3.906721 3.906721 6.093105\n3.906721 -3.906721 6.093105\n3.906721 3.906721 -6.093105\nSr Ge\n4 12\ndirect\n0.170508 0.170508 0.000000 Sr\n0.829492 0.829492 0.000000 Sr\n0.750000 0.250000 0.500000 Sr\n0.250000 0.750000 0.500000 Sr\n0.000000 0.336947 0.336947 Ge\n0.000000 0.663053 0.663053 Ge\n0.336947 0.000000 0.336947 Ge\n0.663053 0.000000 0.663053 Ge\n0.787470 0.425709 0.000000 Ge\n0.425709 0.787470 0.000000 Ge\n0.787470 0.787470 0.361762 Ge\n0.425709 0.425709 0.638238 Ge\n0.212530 0.574291 0.000000 Ge\n0.574291 0.212530 0.000000 Ge\n0.212530 0.212530 0.638238 Ge\n0.574291 0.574291 0.361762 Ge\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Sr",
"Ge"
],
"chemical_system": "Ge-Sr",
"density": 5.455740630590126,
"density_atomic": 0.04301268316923345,
"volume": 371.9833040186771,
"volume_molar": 14.00084885731467,
"formula_full": "Sr4 Ge12",
"formula_reduced": "SrGe3",
"formula_anonymous": "AB3",
"energy": -66.74277591,
"energy_per_atom": -4.171423494375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.74277591,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0056299,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:47.408000Z",
"spacegroup": 139
},
{
"id": "mp-1227378",
"created_at": "2022-09-04T14:40:08.941908Z",
"structure_string": "Ba1 Ti1 Mn1 Bi1 O6\n1.0\n0.000000 3.996439 3.996439\n3.996439 0.000000 3.996439\n3.996439 3.996439 0.000000\nBa Ti Mn Bi O\n1 1 1 1 6\ndirect\n0.000000 0.000000 0.000000 Ba\n0.250000 0.250000 0.250000 Ti\n0.750000 0.750000 0.750000 Mn\n0.500000 0.500000 0.500000 Bi\n0.003461 0.496539 0.496539 O\n0.496539 0.003461 0.003461 O\n0.003461 0.496539 0.003461 O\n0.496539 0.003461 0.496539 O\n0.496539 0.496539 0.003461 O\n0.003461 0.003461 0.496539 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Ti",
"Mn",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-Mn-O-Ti",
"density": 7.09059639296558,
"density_atomic": 0.07833402440120633,
"volume": 127.65844824699191,
"volume_molar": 7.6877714454656045,
"formula_full": "Ba1 Ti1 Mn1 Bi1 O6",
"formula_reduced": "BaTiMnBiO6",
"formula_anonymous": "ABCDE6",
"energy": -77.50479028000001,
"energy_per_atom": -7.750479028000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -71.71479028,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0101239,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.700000Z",
"spacegroup": 216
}
]
}