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_full&page=10134",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_full&page=10132",
"results": [
{
"id": "mp-9726",
"created_at": "2022-09-04T14:43:15.178682Z",
"structure_string": "Sr4 Be4 F16\n1.0\n8.268892 0.000000 0.000000\n0.000000 5.478478 0.000000\n0.000000 5.278669 6.894093\nSr Be F\n4 4 16\ndirect\n0.306232 0.020357 0.672226 Sr\n0.806232 0.979643 0.827774 Sr\n0.693768 0.979643 0.327774 Sr\n0.193768 0.020357 0.172226 Sr\n0.956676 0.426362 0.318218 Be\n0.456676 0.573638 0.181782 Be\n0.043324 0.573638 0.681782 Be\n0.543324 0.426362 0.818218 Be\n0.084640 0.219594 0.821194 F\n0.584640 0.780406 0.678806 F\n0.915360 0.780406 0.178806 F\n0.415360 0.219594 0.321194 F\n0.376192 0.406656 0.906333 F\n0.876192 0.593344 0.593667 F\n0.623808 0.593344 0.093667 F\n0.123808 0.406656 0.406333 F\n0.180289 0.761261 0.530104 F\n0.680289 0.238739 0.969896 F\n0.819711 0.238739 0.469896 F\n0.319711 0.761261 0.030104 F\n0.036520 0.709552 0.797478 F\n0.536520 0.290448 0.702522 F\n0.963480 0.290448 0.202522 F\n0.463480 0.709552 0.297478 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Sr",
"Be",
"F"
],
"chemical_system": "Be-F-Sr",
"density": 3.671388985502256,
"density_atomic": 0.07684699018010997,
"volume": 312.3089133842464,
"volume_molar": 7.836534320844083,
"formula_full": "Sr4 Be4 F16",
"formula_reduced": "SrBeF4",
"formula_anonymous": "ABC4",
"energy": -146.40213424,
"energy_per_atom": -6.100088926666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -139.01013424,
"band_gap": 7.6622,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002017,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:09.539000Z",
"spacegroup": 14
},
{
"id": "mp-558981",
"created_at": "2022-09-04T14:39:27.626883Z",
"structure_string": "Sr4 Be8 B8 O24\n1.0\n4.530493 0.000000 0.000000\n0.000000 9.338145 0.000000\n0.000000 4.983328 10.848286\nSr Be B O\n4 8 8 24\ndirect\n0.527251 0.229595 0.845391 Sr\n0.972749 0.229595 0.345391 Sr\n0.472749 0.770405 0.154609 Sr\n0.027251 0.770405 0.654609 Sr\n0.561203 0.908920 0.807159 Be\n0.438797 0.091080 0.192841 Be\n0.596959 0.578018 0.547217 Be\n0.096959 0.421982 0.952783 Be\n0.938797 0.908920 0.307159 Be\n0.403041 0.421982 0.452783 Be\n0.061203 0.091080 0.692841 Be\n0.903041 0.578018 0.047217 Be\n0.438425 0.404643 0.144232 B\n0.091789 0.869860 0.923916 B\n0.908211 0.130140 0.076084 B\n0.561575 0.595357 0.855768 B\n0.061575 0.404643 0.644232 B\n0.408211 0.869860 0.423916 B\n0.591789 0.130140 0.576084 B\n0.938425 0.595357 0.355768 B\n0.991513 0.248410 0.711503 O\n0.081873 0.059203 0.182186 O\n0.008487 0.751590 0.288497 O\n0.508487 0.248410 0.211503 O\n0.418127 0.059203 0.682186 O\n0.336615 0.440412 0.586227 O\n0.872218 0.521317 0.640487 O\n0.127782 0.478683 0.359513 O\n0.879049 0.077161 0.579892 O\n0.627782 0.521317 0.140487 O\n0.511224 0.752581 0.530692 O\n0.836615 0.559588 0.913773 O\n0.663385 0.559588 0.413773 O\n0.488776 0.247419 0.469308 O\n0.988776 0.752581 0.030692 O\n0.918127 0.940797 0.817814 O\n0.491513 0.751590 0.788497 O\n0.120951 0.922839 0.420108 O\n0.581873 0.940797 0.317814 O\n0.372218 0.478683 0.859513 O\n0.011224 0.247419 0.969308 O\n0.620951 0.077161 0.079892 O\n0.163385 0.440412 0.086227 O\n0.379049 0.922839 0.920108 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Sr",
"Be",
"B",
"O"
],
"chemical_system": "B-Be-O-Sr",
"density": 3.231157907379778,
"density_atomic": 0.09587060615727104,
"volume": 458.9519328564602,
"volume_molar": 6.281529867581074,
"formula_full": "Sr4 Be8 B8 O24",
"formula_reduced": "SrBe2(BO3)2",
"formula_anonymous": "AB2C2D6",
"energy": -345.90207915,
"energy_per_atom": -7.861410889772728,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -329.41407915,
"band_gap": 5.3547,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018311,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:25.841000Z",
"spacegroup": 14
},
{
"id": "mp-1020606",
"created_at": "2022-09-04T14:40:15.998842Z",
"structure_string": "Sr4 Be8 P8 O32\n1.0\n9.079055 0.000000 0.000000\n0.000000 8.077015 0.000000\n0.000000 0.022201 8.510744\nSr Be P O\n4 8 8 32\ndirect\n0.412649 0.744262 0.609088 Sr\n0.912649 0.255738 0.890912 Sr\n0.587351 0.255738 0.390912 Sr\n0.087351 0.744262 0.109088 Sr\n0.418745 0.571360 0.226446 Be\n0.918745 0.428640 0.273554 Be\n0.581255 0.428640 0.773554 Be\n0.081255 0.571360 0.726446 Be\n0.193116 0.073683 0.436554 Be\n0.693116 0.926317 0.063446 Be\n0.806884 0.926317 0.563446 Be\n0.306884 0.073683 0.936554 Be\n0.195539 0.436329 0.433175 P\n0.695539 0.563671 0.066825 P\n0.804461 0.563671 0.566825 P\n0.304461 0.436329 0.933175 P\n0.085725 0.937668 0.730956 P\n0.585725 0.062332 0.769044 P\n0.914275 0.062332 0.269044 P\n0.414275 0.937668 0.230956 P\n0.181933 0.561317 0.570614 O\n0.681933 0.438683 0.929386 O\n0.818067 0.438683 0.429386 O\n0.318067 0.561317 0.070614 O\n0.407106 0.759051 0.300319 O\n0.907106 0.240949 0.199681 O\n0.592894 0.240949 0.699681 O\n0.092894 0.759051 0.800319 O\n0.357059 0.452497 0.370991 O\n0.857059 0.547503 0.129009 O\n0.642941 0.547503 0.629009 O\n0.142941 0.452497 0.870991 O\n0.164080 0.260576 0.490039 O\n0.664080 0.739424 0.009961 O\n0.835920 0.739424 0.509961 O\n0.335920 0.260576 0.990039 O\n0.586966 0.509491 0.199132 O\n0.086966 0.490509 0.300868 O\n0.413034 0.490509 0.800868 O\n0.913034 0.509491 0.699132 O\n0.427332 0.005898 0.806571 O\n0.927332 0.994102 0.693429 O\n0.572668 0.994102 0.193429 O\n0.072668 0.005898 0.306571 O\n0.187268 0.944578 0.586156 O\n0.687268 0.055422 0.913844 O\n0.812732 0.055422 0.413844 O\n0.312732 0.944578 0.086156 O\n0.361687 0.055194 0.364508 O\n0.861687 0.944806 0.135492 O\n0.638313 0.944806 0.635492 O\n0.138313 0.055194 0.864508 O\n",
"nsites": 52,
"nelements": 4,
"elements": [
"Sr",
"Be",
"P",
"O"
],
"chemical_system": "Be-O-P-Sr",
"density": 3.145831697625087,
"density_atomic": 0.08331904432168351,
"volume": 624.1070144688058,
"volume_molar": 7.227808250835587,
"formula_full": "Sr4 Be8 P8 O32",
"formula_reduced": "SrBe2(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy": -401.44691547,
"energy_per_atom": -7.720132989807693,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -379.46291547,
"band_gap": 5.7435,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001974,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:54.277000Z",
"spacegroup": 14
},
{
"id": "mp-1218680",
"created_at": "2022-09-04T14:39:27.585790Z",
"structure_string": "Sr4 Bi11\n1.0\n7.469211 0.000000 0.000000\n1.645625 9.141864 0.000000\n3.040094 4.057871 8.250475\nSr Bi\n4 11\ndirect\n0.651379 0.058344 0.792724 Sr\n0.226597 0.909740 0.671115 Sr\n0.773403 0.090260 0.328885 Sr\n0.348621 0.941656 0.207276 Sr\n0.427997 0.329566 0.498955 Bi\n0.277954 0.328120 0.864717 Bi\n0.220931 0.264571 0.291796 Bi\n0.990924 0.324507 0.645847 Bi\n0.613856 0.335167 0.988070 Bi\n0.779069 0.735429 0.708204 Bi\n0.722046 0.671880 0.135283 Bi\n0.572003 0.670434 0.501045 Bi\n0.386144 0.664833 0.011930 Bi\n0.009076 0.675493 0.354153 Bi\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 15,
"nelements": 2,
"elements": [
"Sr",
"Bi"
],
"chemical_system": "Bi-Sr",
"density": 7.808829925742778,
"density_atomic": 0.026625809602077367,
"volume": 563.3631511745539,
"volume_molar": 22.61768130246882,
"formula_full": "Sr4 Bi11",
"formula_reduced": "Sr4Bi11",
"formula_anonymous": "A4B11",
"energy": -52.86126927,
"energy_per_atom": -3.5240846180000003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -52.86126927,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017156,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.671000Z",
"spacegroup": 2
},
{
"id": "mp-675248",
"created_at": "2022-09-04T14:42:54.408361Z",
"structure_string": "Sr4 Bi14 O25\n1.0\n3.700335 0.000000 0.000000\n-0.940052 10.641946 0.000000\n-0.545740 -5.122695 21.700223\nSr Bi O\n4 14 25\ndirect\n0.460407 0.002907 0.836110 Sr\n0.931893 0.965227 0.678560 Sr\n0.347525 0.012340 0.444498 Sr\n0.321665 0.976131 0.294853 Sr\n0.040736 0.034812 0.989486 Bi\n0.635224 0.352383 0.957278 Bi\n0.052988 0.300370 0.788848 Bi\n0.868144 0.697950 0.877133 Bi\n0.490039 0.228023 0.616854 Bi\n0.355107 0.663851 0.712191 Bi\n0.951557 0.302362 0.404763 Bi\n0.968702 0.497989 0.569233 Bi\n0.628140 0.746789 0.529591 Bi\n0.802278 0.046947 0.158812 Bi\n0.288404 0.505710 0.241586 Bi\n0.153373 0.388550 0.093356 Bi\n0.752753 0.682214 0.166125 Bi\n0.225561 0.688470 0.011075 Bi\n0.583827 0.123339 0.952803 O\n0.026738 0.556555 0.345749 O\n0.976526 0.102955 0.786447 O\n0.939205 0.898398 0.881817 O\n0.986510 0.269969 0.544780 O\n0.122616 0.329452 0.895014 O\n0.401505 0.937831 0.586881 O\n0.411956 0.867553 0.725932 O\n0.301466 0.104524 0.211885 O\n0.003505 0.217907 0.678509 O\n0.901484 0.184731 0.483079 O\n0.040835 0.951587 0.564444 O\n0.680806 0.569027 0.966814 O\n0.559630 0.362992 0.301989 O\n0.839406 0.969364 0.372295 O\n0.674977 0.554298 0.343983 O\n0.413924 0.192381 0.380238 O\n0.894923 0.328855 0.299773 O\n0.067075 0.180992 0.079237 O\n0.774193 0.885181 0.212297 O\n0.893026 0.861680 0.073083 O\n0.510252 0.508889 0.505873 O\n0.310571 0.655593 0.808992 O\n0.634093 0.876362 0.022848 O\n0.536505 0.432559 0.634237 O\n",
"nsites": 43,
"nelements": 3,
"elements": [
"Sr",
"Bi",
"O"
],
"chemical_system": "Bi-O-Sr",
"density": 7.14366082487135,
"density_atomic": 0.05032017749268528,
"volume": 854.5279874310983,
"volume_molar": 11.967646101557172,
"formula_full": "Sr4 Bi14 O25",
"formula_reduced": "Sr4Bi14O25",
"formula_anonymous": "A4B14C25",
"energy": -232.94961652,
"energy_per_atom": -5.417432942325582,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -228.92461652,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003067,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:55.403000Z",
"spacegroup": 1
},
{
"id": "mp-29619",
"created_at": "2022-09-04T14:46:02.131362Z",
"structure_string": "Sr4 Bi2\n1.0\n-2.576317 2.576317 9.077813\n2.576317 -2.576317 9.077813\n2.576317 2.576317 -9.077813\nSr Bi\n4 2\ndirect\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.323232 0.323232 0.000000 Sr\n0.676768 0.676768 0.000000 Sr\n0.135544 0.135544 0.000000 Bi\n0.864456 0.864456 0.000000 Bi\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sr",
"Bi"
],
"chemical_system": "Bi-Sr",
"density": 5.294435854683081,
"density_atomic": 0.02489495974657576,
"volume": 241.0126411562198,
"volume_molar": 24.190200833035412,
"formula_full": "Sr4 Bi2",
"formula_reduced": "Sr2Bi",
"formula_anonymous": "AB2",
"energy": -19.04448753,
"energy_per_atom": -3.1740812550000004,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.04448753,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0036977,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:21.390000Z",
"spacegroup": 139
},
{
"id": "mp-1025351",
"created_at": "2022-09-04T14:42:14.124332Z",
"structure_string": "Sr4 Bi2 O1\n1.0\n-2.532093 2.532093 8.862435\n2.532093 -2.532093 8.862435\n2.532093 2.532093 -8.862435\nSr Bi O\n4 2 1\ndirect\n0.167043 0.167043 0.000000 Sr\n0.832957 0.832957 0.000000 Sr\n0.500000 0.000000 0.500000 Sr\n0.000000 0.500000 0.500000 Sr\n0.361290 0.361290 0.000000 Bi\n0.638710 0.638710 0.000000 Bi\n0.000000 0.000000 0.000000 O\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Sr",
"Bi",
"O"
],
"chemical_system": "Bi-O-Sr",
"density": 5.73108143672311,
"density_atomic": 0.03079822450663247,
"volume": 227.2858293663173,
"volume_molar": 19.553532245675772,
"formula_full": "Sr4 Bi2 O1",
"formula_reduced": "Sr4Bi2O",
"formula_anonymous": "AB2C4",
"energy": -30.44658716,
"energy_per_atom": -4.349512451428572,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.75958716,
"band_gap": 0.6537000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014904,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.046000Z",
"spacegroup": 139
},
{
"id": "mp-1218382",
"created_at": "2022-09-04T14:46:18.988587Z",
"structure_string": "Sr4 Bi2 O1\n1.0\n-2.523952 2.523952 8.878064\n2.523952 -2.523952 8.878064\n2.523952 2.523952 -8.878064\nSr Bi O\n4 2 1\ndirect\n0.834480 0.834480 0.000000 Sr\n0.170151 0.170151 0.000000 Sr\n0.998253 0.498253 0.500000 Sr\n0.498253 0.998253 0.500000 Sr\n0.637965 0.637965 0.000000 Bi\n0.360033 0.360033 0.000000 Bi\n0.990466 0.990466 0.000000 O\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Sr",
"Bi",
"O"
],
"chemical_system": "Bi-O-Sr",
"density": 5.757958014440124,
"density_atomic": 0.030942656388056208,
"volume": 226.2249210995984,
"volume_molar": 19.46226168973822,
"formula_full": "Sr4 Bi2 O1",
"formula_reduced": "Sr4Bi2O",
"formula_anonymous": "AB2C4",
"energy": -30.450836550000005,
"energy_per_atom": -4.350119507142858,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.763836550000004,
"band_gap": 0.6552000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015357,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:19.150000Z",
"spacegroup": 107
},
{
"id": "mp-1179695",
"created_at": "2022-09-04T14:39:23.318669Z",
"structure_string": "Sr4 Bi4 Br20 O32\n1.0\n9.448469 0.000000 0.000000\n0.000000 12.833584 0.000000\n0.000000 0.000000 16.035079\nSr Bi Br O\n4 4 20 32\ndirect\n0.500000 0.126829 0.880251 Sr\n0.500000 0.873171 0.119749 Sr\n0.500000 0.373171 0.380251 Sr\n0.500000 0.626829 0.619749 Sr\n0.000000 0.185719 0.487795 Bi\n0.000000 0.814281 0.512205 Bi\n0.000000 0.314281 0.987795 Bi\n0.000000 0.685719 0.012205 Bi\n0.000000 0.996915 0.619135 Br\n0.000000 0.003085 0.380865 Br\n0.000000 0.503085 0.119135 Br\n0.000000 0.496915 0.880865 Br\n0.697993 0.219686 0.505496 Br\n0.697993 0.780314 0.494504 Br\n0.302007 0.280314 0.005496 Br\n0.302007 0.719686 0.994504 Br\n0.302007 0.780314 0.494504 Br\n0.302007 0.219686 0.505496 Br\n0.697993 0.719686 0.994504 Br\n0.697993 0.280314 0.005496 Br\n0.000000 0.306127 0.632575 Br\n0.000000 0.693873 0.367425 Br\n0.000000 0.193873 0.132575 Br\n0.000000 0.806127 0.867425 Br\n0.000000 0.343048 0.376022 Br\n0.000000 0.656952 0.623978 Br\n0.000000 0.156952 0.876022 Br\n0.000000 0.843048 0.123978 Br\n0.645629 0.995564 0.959868 O\n0.645629 0.004436 0.040132 O\n0.354371 0.504436 0.459868 O\n0.354371 0.495564 0.540132 O\n0.354371 0.004436 0.040132 O\n0.354371 0.995564 0.959868 O\n0.645629 0.495564 0.540132 O\n0.645629 0.504436 0.459868 O\n0.500000 0.288292 0.951450 O\n0.500000 0.711708 0.048550 O\n0.500000 0.211708 0.451450 O\n0.500000 0.788292 0.548550 O\n0.500000 0.008011 0.537903 O\n0.500000 0.991989 0.462097 O\n0.500000 0.491989 0.037903 O\n0.500000 0.508011 0.962097 O\n0.674724 0.169511 0.749252 O\n0.674724 0.830489 0.250748 O\n0.325276 0.330489 0.249252 O\n0.325276 0.669511 0.750748 O\n0.325276 0.830489 0.250748 O\n0.325276 0.169511 0.749252 O\n0.674724 0.669511 0.750748 O\n0.674724 0.330489 0.249252 O\n0.714729 0.759301 0.768475 O\n0.714729 0.240699 0.231525 O\n0.285271 0.740699 0.268475 O\n0.285271 0.259301 0.731525 O\n0.285271 0.240699 0.231525 O\n0.285271 0.759301 0.768475 O\n0.714729 0.259301 0.731525 O\n0.714729 0.740699 0.268475 O\n",
"nsites": 60,
"nelements": 4,
"elements": [
"Sr",
"Bi",
"Br",
"O"
],
"chemical_system": "Bi-Br-O-Sr",
"density": 2.815248397750908,
"density_atomic": 0.030858211150497545,
"volume": 1944.3771289066633,
"volume_molar": 19.515521268000985,
"formula_full": "Sr4 Bi4 Br20 O32",
"formula_reduced": "SrBiBr5O8",
"formula_anonymous": "ABC5D8",
"energy": -241.88591953,
"energy_per_atom": -4.031431992166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -236.73391953,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.9059612,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.798000Z",
"spacegroup": 55
},
{
"id": "mp-760510",
"created_at": "2022-09-04T14:46:09.935961Z",
"structure_string": "Sr4 Bi4 O10\n1.0\n6.255195 0.000000 0.000000\n0.000000 7.576121 0.000000\n0.000000 1.969975 7.501840\nSr Bi O\n4 4 10\ndirect\n0.750000 0.606813 0.848797 Sr\n0.250000 0.393187 0.151203 Sr\n0.750000 0.629445 0.342429 Sr\n0.250000 0.370555 0.657571 Sr\n0.750000 0.123177 0.961466 Bi\n0.250000 0.876823 0.038534 Bi\n0.750000 0.129652 0.474644 Bi\n0.250000 0.870348 0.525356 Bi\n0.250000 0.986115 0.753424 O\n0.508666 0.319412 0.925754 O\n0.991334 0.319412 0.925754 O\n0.750000 0.013885 0.246576 O\n0.008666 0.680588 0.074246 O\n0.491334 0.680588 0.074246 O\n0.992133 0.324374 0.413059 O\n0.507867 0.324374 0.413059 O\n0.007867 0.675626 0.586941 O\n0.492133 0.675626 0.586941 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Sr",
"Bi",
"O"
],
"chemical_system": "Bi-O-Sr",
"density": 6.288777488925359,
"density_atomic": 0.050631052171804504,
"volume": 355.51305429958785,
"volume_molar": 11.894164750053562,
"formula_full": "Sr4 Bi4 O10",
"formula_reduced": "Sr2Bi2O5",
"formula_anonymous": "A2B2C5",
"energy": -114.15896059000002,
"energy_per_atom": -6.342164477222223,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -107.28896059,
"band_gap": 2.2664,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 4.1e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:28.286000Z",
"spacegroup": 11
},
{
"id": "mp-29164",
"created_at": "2022-09-04T14:40:14.249268Z",
"structure_string": "Sr4 Bi4 O12\n1.0\n6.203906 0.000000 0.000000\n0.000000 6.011083 0.000000\n0.000000 6.005459 8.600905\nSr Bi O\n4 4 12\ndirect\n0.550977 0.263023 0.750994 Sr\n0.050977 0.736977 0.749006 Sr\n0.449023 0.736977 0.249006 Sr\n0.949023 0.263023 0.250994 Sr\n0.000000 0.000000 0.000000 Bi\n0.500000 0.000000 0.500000 Bi\n0.000000 0.500000 0.500000 Bi\n0.500000 0.500000 0.000000 Bi\n0.787685 0.370971 0.940179 O\n0.287685 0.629029 0.559821 O\n0.212315 0.629029 0.059821 O\n0.712315 0.370971 0.440179 O\n0.306667 0.263102 0.946343 O\n0.806667 0.736898 0.553657 O\n0.693333 0.736898 0.053657 O\n0.193333 0.263102 0.446343 O\n0.455352 0.846190 0.760591 O\n0.955352 0.153810 0.739409 O\n0.544648 0.153810 0.239409 O\n0.044648 0.846190 0.260591 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sr",
"Bi",
"O"
],
"chemical_system": "Bi-O-Sr",
"density": 7.136093195830227,
"density_atomic": 0.06235451582887881,
"volume": 320.7466168911734,
"volume_molar": 9.657906376062199,
"formula_full": "Sr4 Bi4 O12",
"formula_reduced": "SrBiO3",
"formula_anonymous": "ABC3",
"energy": -126.91775436,
"energy_per_atom": -6.345887718,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -118.67375436,
"band_gap": 0.3106,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.74e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:46.383000Z",
"spacegroup": 14
},
{
"id": "mp-1105110",
"created_at": "2022-09-04T14:41:13.038851Z",
"structure_string": "Sr4 Bi4 Se6 O4\n1.0\n0.000000 4.136429 0.000000\n8.121643 0.000000 -5.344996\n-8.011504 0.000000 -8.418314\nSr Bi Se O\n4 4 6 4\ndirect\n0.508396 0.711110 0.607242 Sr\n0.008396 0.788890 0.892758 Sr\n0.491604 0.288890 0.392758 Sr\n0.991604 0.211110 0.107242 Sr\n0.502032 0.446471 0.809349 Bi\n0.002032 0.053529 0.690651 Bi\n0.497968 0.553529 0.190651 Bi\n0.997968 0.946471 0.309349 Bi\n0.500000 0.000000 0.500000 Se\n0.000000 0.500000 0.000000 Se\n0.499598 0.087307 0.870437 Se\n0.999598 0.412693 0.629563 Se\n0.500402 0.912693 0.129563 Se\n0.000402 0.587307 0.370437 Se\n0.496327 0.333635 0.187272 O\n0.996327 0.166365 0.312728 O\n0.503673 0.666365 0.812728 O\n0.003673 0.833635 0.687272 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Sr",
"Bi",
"Se",
"O"
],
"chemical_system": "Bi-O-Se-Sr",
"density": 6.224827970153949,
"density_atomic": 0.039135726248952084,
"volume": 459.9378042839304,
"volume_molar": 15.38783443468422,
"formula_full": "Sr4 Bi4 Se6 O4",
"formula_reduced": "Sr2Bi2Se3O2",
"formula_anonymous": "A2B2C2D3",
"energy": -96.04352046,
"energy_per_atom": -5.335751136666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -90.46352046,
"band_gap": 1.2328999999999994,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0010103,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:18.090000Z",
"spacegroup": 14
}
]
}