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=-decomposes_to&page=10193",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-decomposes_to&page=10191",
"results": [
{
"id": "mp-1223602",
"created_at": "2022-09-04T14:40:36.889436Z",
"structure_string": "K8 Ca1 Te6\n1.0\n-6.782175 6.782175 3.157276\n6.782175 -6.782175 3.157276\n6.782175 6.782175 -3.157276\nK Ca Te\n8 1 6\ndirect\n0.665151 0.474297 0.634257 K\n0.840040 0.030895 0.365743 K\n0.159960 0.525703 0.190855 K\n0.334849 0.969105 0.809145 K\n0.969105 0.334849 0.809145 K\n0.525703 0.159960 0.190855 K\n0.030895 0.840040 0.365743 K\n0.474297 0.665151 0.634257 K\n0.500000 0.500000 0.000000 Ca\n0.588826 0.881714 0.000000 Te\n0.881714 0.588826 0.000000 Te\n0.118286 0.118286 0.707112 Te\n0.411174 0.411174 0.292888 Te\n0.500000 0.000000 0.500000 Te\n0.000000 0.500000 0.500000 Te\n",
"nsites": 15,
"nelements": 3,
"elements": [
"K",
"Ca",
"Te"
],
"chemical_system": "Ca-K-Te",
"density": 3.1971332696935373,
"density_atomic": 0.02582145652364146,
"volume": 580.912234221427,
"volume_molar": 23.322234957916816,
"formula_full": "K8 Ca1 Te6",
"formula_reduced": "K8CaTe6",
"formula_anonymous": "AB6C8",
"energy": -47.88162175,
"energy_per_atom": -3.1921081166666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.34962175,
"band_gap": 0.6053999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014353,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.735000Z",
"spacegroup": 121
},
{
"id": "mp-582635",
"created_at": "2022-09-04T14:40:36.890975Z",
"structure_string": "U12 Co2\n1.0\n-5.106888 5.106888 2.579834\n5.106888 -5.106888 2.579834\n5.106888 5.106888 -2.579834\nU Co\n12 2\ndirect\n0.895209 0.216765 0.111973 U\n0.405963 0.905963 0.311927 U\n0.094037 0.405963 0.500000 U\n0.104791 0.783235 0.888027 U\n0.594037 0.094037 0.688073 U\n0.216765 0.104791 0.321556 U\n0.783235 0.895209 0.678444 U\n0.604791 0.716765 0.321556 U\n0.716765 0.395209 0.111973 U\n0.395209 0.283235 0.678444 U\n0.905963 0.594037 0.500000 U\n0.283235 0.604791 0.888027 U\n0.250000 0.250000 0.000000 Co\n0.750000 0.750000 0.000000 Co\n",
"nsites": 14,
"nelements": 2,
"elements": [
"U",
"Co"
],
"chemical_system": "Co-U",
"density": 18.350875555967026,
"density_atomic": 0.05201919360237613,
"volume": 269.13143073714446,
"volume_molar": 11.576766848851962,
"formula_full": "U12 Co2",
"formula_reduced": "U6Co",
"formula_anonymous": "AB6",
"energy": -150.2155255,
"energy_per_atom": -10.729680392857144,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -150.2155255,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.054816,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:04.438000Z",
"spacegroup": 140
},
{
"id": "mp-554676",
"created_at": "2022-09-04T14:40:36.894768Z",
"structure_string": "H24 C8 S8\n1.0\n6.653195 0.000000 0.000000\n0.000000 8.746443 0.000000\n0.000000 0.651019 8.982348\nH C S\n24 8 8\ndirect\n0.169329 0.895054 0.583046 H\n0.728682 0.097034 0.971659 H\n0.864141 0.143438 0.800253 H\n0.591202 0.350994 0.609082 H\n0.061114 0.738430 0.492452 H\n0.271318 0.902966 0.028341 H\n0.632106 0.452315 0.885020 H\n0.330671 0.395054 0.583046 H\n0.135859 0.856562 0.199747 H\n0.830671 0.104946 0.416954 H\n0.635859 0.643438 0.800253 H\n0.771318 0.597034 0.971659 H\n0.438886 0.238430 0.492452 H\n0.228682 0.402966 0.028341 H\n0.867894 0.952315 0.885020 H\n0.908798 0.850994 0.609082 H\n0.669329 0.604946 0.416954 H\n0.367894 0.547685 0.114980 H\n0.091202 0.149006 0.390918 H\n0.561114 0.761570 0.507548 H\n0.408798 0.649006 0.390918 H\n0.364141 0.356562 0.199747 H\n0.938886 0.261570 0.507548 H\n0.132106 0.047685 0.114980 H\n0.058200 0.801672 0.593216 C\n0.724415 0.556162 0.864734 C\n0.441800 0.301672 0.593216 C\n0.941800 0.198328 0.406784 C\n0.558200 0.698328 0.406784 C\n0.224415 0.943838 0.135266 C\n0.275585 0.443838 0.135266 C\n0.775585 0.056162 0.864734 C\n0.557986 0.997315 0.761045 S\n0.365410 0.179098 0.754806 S\n0.942014 0.497315 0.761045 S\n0.057986 0.502685 0.238955 S\n0.865410 0.320902 0.245194 S\n0.634590 0.820902 0.245194 S\n0.134590 0.679098 0.754806 S\n0.442014 0.002685 0.238955 S\n",
"nsites": 40,
"nelements": 3,
"elements": [
"H",
"C",
"S"
],
"chemical_system": "C-H-S",
"density": 1.1970270544677708,
"density_atomic": 0.07652589047642379,
"volume": 522.6989160266388,
"volume_molar": 7.869416118529598,
"formula_full": "H24 C8 S8",
"formula_reduced": "H3CS",
"formula_anonymous": "ABC3",
"energy": -197.58494636,
"energy_per_atom": -4.939623659,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -193.56094636,
"band_gap": 3.6523,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013146,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:58.924000Z",
"spacegroup": 14
},
{
"id": "mp-1043634",
"created_at": "2022-09-04T14:40:36.901047Z",
"structure_string": "Ca4 Mn4 Si16 O40\n1.0\n7.548598 0.000000 0.000000\n0.000000 7.548598 0.000000\n0.000000 0.000000 15.365386\nCa Mn Si O\n4 4 16 40\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.000000 Ca\n0.500000 0.000000 0.578728 Mn\n0.000000 0.500000 0.921272 Mn\n0.000000 0.500000 0.421272 Mn\n0.500000 0.000000 0.078728 Mn\n0.168614 0.253125 0.648119 Si\n0.831386 0.746875 0.648119 Si\n0.253125 0.168614 0.851881 Si\n0.753125 0.331386 0.648119 Si\n0.246875 0.668614 0.648119 Si\n0.331386 0.753125 0.851881 Si\n0.668614 0.246875 0.851881 Si\n0.746875 0.831386 0.851881 Si\n0.331386 0.246875 0.351881 Si\n0.668614 0.753125 0.351881 Si\n0.246875 0.331386 0.148119 Si\n0.746875 0.168614 0.351881 Si\n0.253125 0.831386 0.351881 Si\n0.168614 0.746875 0.148119 Si\n0.831386 0.253125 0.148119 Si\n0.753125 0.668614 0.148119 Si\n0.244235 0.107060 0.582287 O\n0.755765 0.892940 0.582287 O\n0.107060 0.244235 0.917713 O\n0.607060 0.255765 0.582287 O\n0.392940 0.744235 0.582287 O\n0.255765 0.607060 0.917713 O\n0.744235 0.392940 0.917713 O\n0.892940 0.755765 0.917713 O\n0.255765 0.392940 0.417713 O\n0.744235 0.607060 0.417713 O\n0.392940 0.255765 0.082287 O\n0.892940 0.244235 0.417713 O\n0.107060 0.755765 0.417713 O\n0.244235 0.892940 0.082287 O\n0.755765 0.107060 0.082287 O\n0.254321 0.046576 0.370908 O\n0.607060 0.744235 0.082287 O\n0.754321 0.546576 0.629092 O\n0.453424 0.245679 0.870908 O\n0.953424 0.254321 0.629092 O\n0.046576 0.745679 0.629092 O\n0.254321 0.953424 0.870908 O\n0.745679 0.046576 0.870908 O\n0.546576 0.754321 0.870908 O\n0.707714 0.707714 0.250000 O\n0.792286 0.207714 0.250000 O\n0.207714 0.792286 0.250000 O\n0.292286 0.292286 0.250000 O\n0.792286 0.792286 0.750000 O\n0.707714 0.292286 0.750000 O\n0.292286 0.707714 0.750000 O\n0.207714 0.207714 0.750000 O\n0.953424 0.745679 0.129092 O\n0.754321 0.453424 0.129092 O\n0.245679 0.546576 0.129092 O\n0.453424 0.754321 0.370908 O\n0.546576 0.245679 0.370908 O\n0.046576 0.254321 0.129092 O\n0.745679 0.953424 0.370908 O\n0.245679 0.453424 0.629092 O\n",
"nsites": 64,
"nelements": 4,
"elements": [
"Ca",
"Mn",
"Si",
"O"
],
"chemical_system": "Ca-Mn-O-Si",
"density": 2.7868621069236816,
"density_atomic": 0.0730977322525781,
"volume": 875.5401573725671,
"volume_molar": 8.238478232390861,
"formula_full": "Ca4 Mn4 Si16 O40",
"formula_reduced": "CaMn(Si2O5)2",
"formula_anonymous": "ABC4D10",
"energy": -530.69315669,
"energy_per_atom": -8.29208057328125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -496.54115669,
"band_gap": 2.7892,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 20.1543051,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.374000Z",
"spacegroup": 130
},
{
"id": "mp-1174777",
"created_at": "2022-09-04T14:40:37.030121Z",
"structure_string": "Li5 Mn3 O8\n1.0\n2.966606 0.000000 0.000000\n0.160249 5.112459 0.000000\n0.274375 1.909444 9.686132\nLi Mn O\n5 3 8\ndirect\n0.005486 0.781465 0.722623 Li\n0.515551 0.748226 0.272350 Li\n0.484449 0.251774 0.727650 Li\n0.994514 0.218535 0.277377 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.456639 0.856036 0.886400 O\n0.999312 0.844918 0.381485 O\n0.014922 0.372677 0.892884 O\n0.511450 0.387522 0.390022 O\n0.488550 0.612478 0.609978 O\n0.985078 0.627323 0.107116 O\n0.000688 0.155082 0.618515 O\n0.543361 0.143964 0.113600 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.7020247572891556,
"density_atomic": 0.10891304256641834,
"volume": 146.9061888546795,
"volume_molar": 5.529310923737644,
"formula_full": "Li5 Mn3 O8",
"formula_reduced": "Li5Mn3O8",
"formula_anonymous": "A3B5C8",
"energy": -109.81392634,
"energy_per_atom": -6.86337039625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -99.31392634,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0022997,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:57.455000Z",
"spacegroup": 2
},
{
"id": "mp-1193032",
"created_at": "2022-09-04T14:40:36.903121Z",
"structure_string": "Y2 Br6 O20\n1.0\n6.854143 -0.687833 -0.135443\n-2.025130 9.999790 1.160978\n0.366138 1.478698 8.299357\nY Br O\n2 6 20\ndirect\n0.190158 0.231784 0.243358 Y\n0.809842 0.768216 0.756642 Y\n0.139099 0.711543 0.448084 Br\n0.860901 0.288457 0.551916 Br\n0.738417 0.419041 0.113498 Br\n0.261583 0.580959 0.886502 Br\n0.256271 0.039475 0.668577 Br\n0.743729 0.960525 0.331423 Br\n0.963498 0.155225 0.052012 O\n0.036502 0.844775 0.947988 O\n0.348923 0.145407 0.468420 O\n0.651077 0.854593 0.531580 O\n0.523298 0.272813 0.143268 O\n0.476702 0.727187 0.856732 O\n0.966613 0.311969 0.343887 O\n0.033387 0.688031 0.656113 O\n0.007382 0.993692 0.326874 O\n0.992618 0.006307 0.673126 O\n0.269348 0.457026 0.071568 O\n0.730652 0.542974 0.928432 O\n0.326184 0.385821 0.564305 O\n0.673816 0.614179 0.435695 O\n0.241571 0.810945 0.152119 O\n0.758429 0.189055 0.847881 O\n0.908766 0.251324 0.922824 O\n0.091234 0.748676 0.077176 O\n0.610612 0.651101 0.299238 O\n0.389388 0.348899 0.700762 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Y",
"Br",
"O"
],
"chemical_system": "Br-O-Y",
"density": 2.971360331306284,
"density_atomic": 0.05127082005478709,
"volume": 546.1196050712607,
"volume_molar": 11.745746905481221,
"formula_full": "Y2 Br6 O20",
"formula_reduced": "YBr3O10",
"formula_anonymous": "AB3C10",
"energy": -132.58886618,
"energy_per_atom": -4.735316649285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -132.58886618,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.001235,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:06.092000Z",
"spacegroup": 2
},
{
"id": "mp-683997",
"created_at": "2022-09-04T14:40:36.904628Z",
"structure_string": "Ce12 Nb4 S12 O16\n1.0\n7.031345 0.000000 0.000000\n0.000000 7.560725 0.000000\n0.000000 0.000000 14.574340\nCe Nb S O\n12 4 12 16\ndirect\n0.713061 0.246796 0.157153 Ce\n0.786939 0.246796 0.657153 Ce\n0.716886 0.500000 0.919698 Ce\n0.213061 0.246796 0.342847 Ce\n0.286939 0.753204 0.842847 Ce\n0.213061 0.753204 0.342847 Ce\n0.286939 0.246796 0.842847 Ce\n0.216886 0.500000 0.580302 Ce\n0.283114 0.500000 0.080302 Ce\n0.786939 0.753204 0.657153 Ce\n0.713061 0.753204 0.157153 Ce\n0.783114 0.500000 0.419698 Ce\n0.749316 0.000000 0.430368 Nb\n0.750684 0.000000 0.930368 Nb\n0.250684 0.000000 0.569632 Nb\n0.249316 0.000000 0.069632 Nb\n0.500000 0.753504 0.500000 S\n0.971445 0.000000 0.791980 S\n0.028555 0.000000 0.208020 S\n0.528555 0.000000 0.291980 S\n0.000000 0.753504 0.000000 S\n0.500000 0.246496 0.500000 S\n0.000000 0.246496 0.000000 S\n0.471445 0.000000 0.708020 S\n0.506598 0.500000 0.725806 S\n0.993402 0.500000 0.225806 S\n0.006598 0.500000 0.774194 S\n0.493402 0.500000 0.274194 S\n0.623448 0.792446 0.886287 O\n0.867026 0.500000 0.572506 O\n0.376552 0.207554 0.113713 O\n0.123448 0.207554 0.613713 O\n0.316939 0.000000 0.940086 O\n0.816939 0.000000 0.559914 O\n0.132974 0.500000 0.427494 O\n0.876552 0.207554 0.386287 O\n0.183061 0.000000 0.440086 O\n0.876552 0.792446 0.386287 O\n0.376552 0.792446 0.113713 O\n0.123448 0.792446 0.613713 O\n0.632974 0.500000 0.072506 O\n0.367026 0.500000 0.927494 O\n0.623448 0.207554 0.886287 O\n0.683061 0.000000 0.059914 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Ce",
"Nb",
"S",
"O"
],
"chemical_system": "Ce-Nb-O-S",
"density": 5.773268448380142,
"density_atomic": 0.056788700394453585,
"volume": 774.8020238951863,
"volume_molar": 10.604470111431127,
"formula_full": "Ce12 Nb4 S12 O16",
"formula_reduced": "Ce3NbS3O4",
"formula_anonymous": "AB3C3D4",
"energy": -371.11872188,
"energy_per_atom": -8.434516406363636,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -354.09072188,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:01.230000Z",
"spacegroup": 55
},
{
"id": "mp-1226514",
"created_at": "2022-09-04T14:40:36.908746Z",
"structure_string": "In1 Cu1 Se2\n1.0\n-2.074535 -3.583272 0.007774\n-4.149069 0.000000 0.000000\n0.000000 0.014208 -6.822622\nIn Cu Se\n1 1 2\ndirect\n0.335064 0.332468 0.639241 In\n0.665767 0.667117 0.080172 Cu\n0.666035 0.666983 0.455768 Se\n0.333135 0.333432 0.014419 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"In",
"Cu",
"Se"
],
"chemical_system": "Cu-In-Se",
"density": 5.505230668718471,
"density_atomic": 0.03943485151211313,
"volume": 101.43311935056552,
"volume_molar": 15.271113061374633,
"formula_full": "In1 Cu1 Se2",
"formula_reduced": "InCuSe2",
"formula_anonymous": "ABC2",
"energy": -16.27574649,
"energy_per_atom": -4.0689366225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.33174649,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001068,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.728000Z",
"spacegroup": 156
},
{
"id": "mp-1184812",
"created_at": "2022-09-04T14:40:36.917031Z",
"structure_string": "In2 Sn6\n1.0\n3.367111 -5.832007 0.000000\n3.367111 5.832007 0.000000\n0.000000 0.000000 5.606086\nIn Sn\n2 6\ndirect\n0.333333 0.666667 0.750000 In\n0.666667 0.333333 0.250000 In\n0.167227 0.334453 0.250000 Sn\n0.665547 0.832773 0.250000 Sn\n0.167227 0.832773 0.250000 Sn\n0.832773 0.665547 0.750000 Sn\n0.334453 0.167227 0.750000 Sn\n0.832773 0.167227 0.750000 Sn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"In",
"Sn"
],
"chemical_system": "In-Sn",
"density": 7.103736250586786,
"density_atomic": 0.03633496661009879,
"volume": 220.17358886953028,
"volume_molar": 16.57395429758351,
"formula_full": "In2 Sn6",
"formula_reduced": "InSn3",
"formula_anonymous": "AB3",
"energy": -29.116466,
"energy_per_atom": -3.63955825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.116466,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.6e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.808000Z",
"spacegroup": 194
},
{
"id": "mp-1112016",
"created_at": "2022-09-04T14:40:36.921648Z",
"structure_string": "K2 Sc1 In1 I6\n1.0\n0.000000 6.202317 6.202317\n6.202317 0.000000 6.202317\n6.202317 6.202317 0.000000\nK Sc In I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 In\n0.766616 0.233384 0.233384 I\n0.233384 0.233384 0.766616 I\n0.233384 0.766616 0.766616 I\n0.233384 0.766616 0.233384 I\n0.766616 0.233384 0.766616 I\n0.766616 0.766616 0.233384 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Sc",
"In",
"I"
],
"chemical_system": "I-In-K-Sc",
"density": 3.477726381309541,
"density_atomic": 0.020955987303205113,
"volume": 477.1905926126683,
"volume_molar": 28.737089180613047,
"formula_full": "K2 Sc1 In1 I6",
"formula_reduced": "K2ScInI6",
"formula_anonymous": "ABC2D6",
"energy": -33.90947997,
"energy_per_atom": -3.390947997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.63547997,
"band_gap": 1.9864,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 2.37e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.455000Z",
"spacegroup": 225
},
{
"id": "mp-610469",
"created_at": "2022-09-04T14:40:36.924439Z",
"structure_string": "Ce2 Bi2 S4 O2\n1.0\n4.015541 0.000000 0.000000\n0.000000 4.015541 0.000000\n0.000000 0.000000 13.614615\nCe Bi S O\n2 2 4 2\ndirect\n0.500000 0.000000 0.590749 Ce\n0.000000 0.500000 0.409251 Ce\n0.500000 0.000000 0.124338 Bi\n0.000000 0.500000 0.875662 Bi\n0.500000 0.000000 0.314870 S\n0.500000 0.000000 0.880980 S\n0.000000 0.500000 0.685130 S\n0.000000 0.500000 0.119020 S\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ce",
"Bi",
"S",
"O"
],
"chemical_system": "Bi-Ce-O-S",
"density": 6.493388956885671,
"density_atomic": 0.04555190102890905,
"volume": 219.52980609203559,
"volume_molar": 13.220393933017437,
"formula_full": "Ce2 Bi2 S4 O2",
"formula_reduced": "CeBiS2O",
"formula_anonymous": "ABCD2",
"energy": -66.50050623,
"energy_per_atom": -6.650050623,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.11450623,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.7269056,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:06.553000Z",
"spacegroup": 129
},
{
"id": "mp-1521463",
"created_at": "2022-09-04T14:40:36.930354Z",
"structure_string": "K1 Zr1 Sn1 Bi1 O6\n1.0\n0.000000 -4.139267 -4.139267\n4.139267 0.000000 -4.139267\n4.139267 -4.139267 0.000000\nK Zr Sn Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Sn\n0.750000 0.750000 0.750000 Bi\n0.752147 0.247853 0.247853 O\n0.247853 0.752147 0.752147 O\n0.752147 0.247853 0.752147 O\n0.247853 0.752147 0.247853 O\n0.752147 0.752147 0.247853 O\n0.247853 0.247853 0.752147 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Zr",
"Sn",
"Bi",
"O"
],
"chemical_system": "Bi-K-O-Sn-Zr",
"density": 6.485831727218443,
"density_atomic": 0.07050171490049749,
"volume": 141.84052138467112,
"volume_molar": 8.541835852502796,
"formula_full": "K1 Zr1 Sn1 Bi1 O6",
"formula_reduced": "KZrSnBiO6",
"formula_anonymous": "ABCDE6",
"energy": -70.31055521,
"energy_per_atom": -7.031055521000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.18855521,
"band_gap": 0.9464,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:07.164000Z",
"spacegroup": 216
}
]
}