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_stable&page=103",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_stable&page=101",
"results": [
{
"id": "mp-1232418",
"created_at": "2022-09-04T14:43:21.103742Z",
"structure_string": "Ca1 Tb3\n1.0\n-2.559686 2.559686 5.096764\n2.559686 -2.559686 5.096764\n2.559686 2.559686 -5.096764\nCa Tb\n1 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.750000 0.250000 0.500000 Tb\n0.250000 0.750000 0.500000 Tb\n0.500000 0.500000 0.000000 Tb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"Tb"
],
"chemical_system": "Ca-Tb",
"density": 6.425236518900472,
"density_atomic": 0.029945535879215994,
"volume": 133.5758363494921,
"volume_molar": 20.110312215784152,
"formula_full": "Ca1 Tb3",
"formula_reduced": "CaTb3",
"formula_anonymous": "AB3",
"energy": -15.4176978,
"energy_per_atom": -3.85442445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.4176978,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0403925,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:11.432000Z",
"spacegroup": 139
},
{
"id": "mp-674644",
"created_at": "2022-09-04T14:43:21.106058Z",
"structure_string": "Bi8 O12\n1.0\n6.908646 0.000000 0.000000\n-2.738325 7.152650 0.000000\n-0.001786 -2.578265 7.748191\nBi O\n8 12\ndirect\n0.801385 0.911492 0.882341 Bi\n0.175333 0.079770 0.620130 Bi\n0.038275 0.523273 0.485742 Bi\n0.585068 0.918668 0.407174 Bi\n0.819789 0.442623 0.935592 Bi\n0.281885 0.967312 0.085986 Bi\n0.550934 0.501076 0.554186 Bi\n0.360678 0.491434 0.057799 Bi\n0.397497 0.604849 0.349309 O\n0.816270 0.850996 0.586166 O\n0.382330 0.884932 0.660553 O\n0.478295 0.356372 0.779174 O\n0.475535 0.969356 0.843565 O\n0.163369 0.307822 0.500889 O\n0.623832 0.764130 0.114671 O\n0.708950 0.335705 0.379438 O\n0.164902 0.646975 0.019285 O\n0.889718 0.566546 0.729047 O\n0.265065 0.944754 0.368426 O\n0.957491 0.223914 0.896327 O\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Bi",
"O"
],
"chemical_system": "Bi-O",
"density": 8.083446367760068,
"density_atomic": 0.05223598199560959,
"volume": 382.8778408278223,
"volume_molar": 11.528721256750105,
"formula_full": "Bi8 O12",
"formula_reduced": "Bi2O3",
"formula_anonymous": "A2B3",
"energy": -110.93265143,
"energy_per_atom": -5.5466325715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -109.00065143,
"band_gap": 0.5305,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004212,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.594000Z",
"spacegroup": 1
},
{
"id": "mp-644246",
"created_at": "2022-09-04T14:43:21.174423Z",
"structure_string": "Eu1 H3 Pd1\n1.0\n3.830543 0.000000 0.000000\n0.000000 3.830543 0.000000\n0.000000 0.000000 3.830543\nEu H Pd\n1 3 1\ndirect\n0.500000 0.500000 0.500000 Eu\n0.000000 0.000000 0.500000 H\n0.000000 0.500000 0.000000 H\n0.500000 0.000000 0.000000 H\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Eu",
"H",
"Pd"
],
"chemical_system": "Eu-H-Pd",
"density": 7.723010887586597,
"density_atomic": 0.08895881284678393,
"volume": 56.20578602607512,
"volume_molar": 6.769583099509307,
"formula_full": "Eu1 H3 Pd1",
"formula_reduced": "EuH3Pd",
"formula_anonymous": "ABC3",
"energy": -28.29552475,
"energy_per_atom": -5.65910495,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.29552475,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.8864342,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:07.785000Z",
"spacegroup": 221
},
{
"id": "mp-780526",
"created_at": "2022-09-04T14:43:21.107111Z",
"structure_string": "Li8 Mn4 C4 S4 O28\n1.0\n0.478098 -0.001084 4.929380\n9.377808 -0.002551 0.412536\n-0.003440 13.010328 -0.002539\nLi Mn C S O\n8 4 4 4 28\ndirect\n0.208528 0.164559 0.257433 Li\n0.208504 0.164516 0.757414 Li\n0.208554 0.164489 0.492586 Li\n0.208397 0.164536 0.992638 Li\n0.791520 0.835468 0.007446 Li\n0.791533 0.835550 0.507425 Li\n0.791463 0.835510 0.242656 Li\n0.791598 0.835388 0.742630 Li\n0.748122 0.362322 0.874728 Mn\n0.251456 0.637758 0.625009 Mn\n0.749161 0.362305 0.374949 Mn\n0.250846 0.637671 0.125067 Mn\n0.724234 0.076929 0.374941 C\n0.724134 0.076702 0.874918 C\n0.275931 0.923135 0.125115 C\n0.275906 0.923152 0.625111 C\n0.773251 0.400929 0.124922 S\n0.773385 0.400950 0.624916 S\n0.226731 0.599162 0.375040 S\n0.226500 0.598997 0.874989 S\n0.306996 0.056503 0.125056 O\n0.306992 0.056569 0.625072 O\n0.693087 0.943614 0.375049 O\n0.693134 0.943319 0.875044 O\n0.964861 0.118597 0.374905 O\n0.964608 0.118450 0.874884 O\n0.035340 0.881461 0.125114 O\n0.035397 0.881480 0.625108 O\n0.511701 0.179270 0.374913 O\n0.511371 0.178948 0.874866 O\n0.488504 0.820848 0.125135 O\n0.488542 0.820924 0.625098 O\n0.134761 0.455887 0.374948 O\n0.134275 0.455826 0.874925 O\n0.865534 0.544118 0.125068 O\n0.865552 0.544098 0.625051 O\n0.468056 0.423539 0.124982 O\n0.468206 0.423484 0.624945 O\n0.531920 0.576706 0.375099 O\n0.531770 0.576385 0.875091 O\n0.874145 0.315187 0.032763 O\n0.874393 0.315197 0.532738 O\n0.874509 0.315010 0.216937 O\n0.874659 0.314898 0.716893 O\n0.125364 0.685016 0.283047 O\n0.125611 0.684900 0.782993 O\n0.125460 0.684883 0.467197 O\n0.125495 0.684857 0.967146 O\n",
"nsites": 48,
"nelements": 5,
"elements": [
"Li",
"Mn",
"C",
"S",
"O"
],
"chemical_system": "C-Li-Mn-O-S",
"density": 2.4943495918785548,
"density_atomic": 0.0801523650991802,
"volume": 598.859434036725,
"volume_molar": 7.513366265048111,
"formula_full": "Li8 Mn4 C4 S4 O28",
"formula_reduced": "Li2MnCSO7",
"formula_anonymous": "ABCD2E7",
"energy": -345.64113292,
"energy_per_atom": -7.200856935833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -319.73313292,
"band_gap": 3.8192,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:03.574000Z",
"spacegroup": 11
},
{
"id": "mp-1176130",
"created_at": "2022-09-04T14:43:21.115629Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n3.022382 0.000000 0.000000\n-0.135239 8.031166 0.000000\n-1.094082 -0.156472 11.948358\nLi Mn Co O\n9 2 5 16\ndirect\n0.997165 0.998627 0.250838 Li\n0.498248 0.755994 0.620749 Li\n0.999712 0.499851 0.000545 Li\n0.501104 0.246296 0.377622 Li\n0.002302 0.001755 0.749361 Li\n0.499786 0.748246 0.126698 Li\n0.000496 0.499917 0.499481 Li\n0.501193 0.249588 0.874633 Li\n0.999528 0.999547 0.499397 Li\n0.000209 0.000672 0.000605 Mn\n0.000766 0.498107 0.749036 Mn\n0.498034 0.759064 0.379979 Co\n0.498877 0.252042 0.126893 Co\n0.499793 0.749954 0.874720 Co\n0.001570 0.502108 0.250536 Co\n0.504043 0.238907 0.618353 Co\n0.478181 0.012239 0.122027 O\n0.977251 0.748711 0.490419 O\n0.477447 0.511563 0.871419 O\n0.975586 0.262997 0.245001 O\n0.494459 0.023935 0.626653 O\n0.975975 0.757157 0.993708 O\n0.477384 0.520170 0.367144 O\n0.976539 0.257938 0.743266 O\n0.503946 0.974650 0.372242 O\n0.024539 0.742128 0.755008 O\n0.523779 0.488682 0.132994 O\n0.019658 0.250068 0.508729 O\n0.523342 0.988212 0.878944 O\n0.023959 0.737310 0.257418 O\n0.519985 0.480013 0.628651 O\n0.025148 0.243557 0.006926 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.139540075588954,
"density_atomic": 0.11033512592054341,
"volume": 290.0254994320162,
"volume_molar": 5.458044942402818,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -202.90805508,
"energy_per_atom": -6.34087672125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -180.39005508,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.2907459,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:15.496000Z",
"spacegroup": 1
},
{
"id": "mp-1044528",
"created_at": "2022-09-04T14:43:21.119697Z",
"structure_string": "Pr2 Mg2 Cr4 O12\n1.0\n5.285591 0.000000 0.000000\n0.000000 5.435023 0.000000\n0.000000 0.000000 7.718401\nPr Mg Cr O\n2 2 4 12\ndirect\n0.008445 0.701110 0.000000 Pr\n0.508445 0.298890 0.500000 Pr\n0.480127 0.194458 0.000000 Mg\n0.980127 0.805542 0.500000 Mg\n0.996474 0.242981 0.749646 Cr\n0.996474 0.242981 0.250354 Cr\n0.496474 0.757019 0.249646 Cr\n0.496474 0.757019 0.750354 Cr\n0.083513 0.194451 0.500000 O\n0.211935 0.974902 0.806902 O\n0.211935 0.974902 0.193098 O\n0.318228 0.449743 0.193372 O\n0.318228 0.449743 0.806628 O\n0.372257 0.726047 0.500000 O\n0.583513 0.805549 0.000000 O\n0.711935 0.025098 0.693098 O\n0.711935 0.025098 0.306902 O\n0.818228 0.550257 0.693372 O\n0.818228 0.550257 0.306628 O\n0.872257 0.273953 0.000000 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Pr",
"Mg",
"Cr",
"O"
],
"chemical_system": "Cr-Mg-O-Pr",
"density": 5.470021959754206,
"density_atomic": 0.0902002449699027,
"volume": 221.7288878392009,
"volume_molar": 6.676412865629601,
"formula_full": "Pr2 Mg2 Cr4 O12",
"formula_reduced": "PrMgCr2O6",
"formula_anonymous": "ABC2D6",
"energy": -164.757113,
"energy_per_atom": -8.23785565,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -148.517113,
"band_gap": 0.5482999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0000819,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.591000Z",
"spacegroup": 31
},
{
"id": "mp-1219490",
"created_at": "2022-09-04T14:43:21.120887Z",
"structure_string": "Re1 W2\n1.0\n0.000000 2.244665 6.733286\n1.577158 0.000000 6.733286\n1.577158 2.244665 0.000000\nRe W\n1 2\ndirect\n0.000000 0.000000 0.000000 Re\n0.334035 0.334035 0.665965 W\n0.665965 0.665965 0.334035 W\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Re",
"W"
],
"chemical_system": "Re-W",
"density": 19.29240960912995,
"density_atomic": 0.06292706254483696,
"volume": 47.67424187109373,
"volume_molar": 9.570033172467074,
"formula_full": "Re1 W2",
"formula_reduced": "ReW2",
"formula_anonymous": "AB2",
"energy": -38.1667508,
"energy_per_atom": -12.722250266666668,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.1667508,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014807,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:16.082000Z",
"spacegroup": 69
},
{
"id": "mp-27127",
"created_at": "2022-09-04T14:43:21.124884Z",
"structure_string": "Te8 O18\n1.0\n5.794943 -4.743017 0.000000\n5.794943 4.743017 0.000000\n1.912901 0.000000 7.240054\nTe O\n8 18\ndirect\n0.596442 0.289922 0.840243 Te\n0.840243 0.596442 0.289922 Te\n0.289922 0.840243 0.596442 Te\n0.403558 0.710078 0.159757 Te\n0.159757 0.403558 0.710078 Te\n0.710078 0.159757 0.403558 Te\n0.183541 0.183541 0.183541 Te\n0.816459 0.816459 0.816459 Te\n0.576112 0.771509 0.288421 O\n0.288421 0.576112 0.771509 O\n0.771509 0.288421 0.576112 O\n0.423888 0.228491 0.711579 O\n0.711579 0.423888 0.228491 O\n0.228491 0.711579 0.423888 O\n0.722490 0.917049 0.587562 O\n0.587562 0.722490 0.917049 O\n0.042937 0.928442 0.717627 O\n0.928442 0.717627 0.042937 O\n0.717627 0.042937 0.928442 O\n0.957063 0.071558 0.282373 O\n0.071558 0.282373 0.957063 O\n0.282373 0.957063 0.071558 O\n0.082951 0.412438 0.277510 O\n0.412438 0.277510 0.082951 O\n0.277510 0.082951 0.412438 O\n0.917049 0.587562 0.722490 O\n",
"nsites": 26,
"nelements": 2,
"elements": [
"Te",
"O"
],
"chemical_system": "O-Te",
"density": 5.46063501036603,
"density_atomic": 0.06532774947654567,
"volume": 397.99319903611047,
"volume_molar": 9.21835025430059,
"formula_full": "Te8 O18",
"formula_reduced": "Te4O9",
"formula_anonymous": "A4B9",
"energy": -151.96907168,
"energy_per_atom": -5.8449642953846155,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -139.60307168,
"band_gap": 2.2398,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006701,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:16.912000Z",
"spacegroup": 148
},
{
"id": "mp-1522899",
"created_at": "2022-09-04T14:43:21.128256Z",
"structure_string": "Ba4 Na4 Pr4 Bi4 O24\n1.0\n8.787040 0.000000 0.000000\n0.000000 8.735341 0.000000\n0.000000 0.000000 8.776939\nBa Na Pr Bi 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\n-0.000000 0.500000 0.500000 Na\n0.500000 -0.000000 0.500000 Na\n0.500000 0.000000 -0.000000 Na\n0.000000 0.500000 0.000000 Na\n0.250000 0.250000 0.250000 Pr\n0.750000 0.750000 0.250000 Pr\n0.750000 0.250000 0.750000 Pr\n0.250000 0.750000 0.750000 Pr\n0.750000 0.750000 0.750000 Bi\n0.250000 0.250000 0.750000 Bi\n0.250000 0.750000 0.250000 Bi\n0.750000 0.250000 0.250000 Bi\n0.988124 0.204132 0.267477 O\n0.011876 0.795868 0.267477 O\n0.011876 0.204132 0.732523 O\n0.988124 0.795868 0.732523 O\n0.277543 0.985517 0.187195 O\n0.277543 0.014483 0.812805 O\n0.722457 0.014483 0.187195 O\n0.722457 0.985517 0.812805 O\n0.219451 0.306574 0.986122 O\n0.780549 0.306574 0.013878 O\n0.219451 0.693426 0.013878 O\n0.780549 0.693426 0.986122 O\n0.511876 0.295868 0.232523 O\n0.488124 0.704132 0.232523 O\n0.488124 0.295868 0.767477 O\n0.511876 0.704132 0.767477 O\n0.222457 0.514483 0.312805 O\n0.222457 0.485517 0.687195 O\n0.777543 0.485517 0.312805 O\n0.777543 0.514483 0.687195 O\n0.280549 0.193426 0.513878 O\n0.719451 0.193426 0.486122 O\n0.280549 0.806574 0.486122 O\n0.719451 0.806574 0.513878 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Ba",
"Na",
"Pr",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-Na-O-Pr",
"density": 5.976684735644012,
"density_atomic": 0.059373745258016704,
"volume": 673.6984474564397,
"volume_molar": 10.14276720094036,
"formula_full": "Ba4 Na4 Pr4 Bi4 O24",
"formula_reduced": "BaNaPrBiO6",
"formula_anonymous": "ABCDE6",
"energy": -257.9486995,
"energy_per_atom": -6.4487174875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -241.4606995,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.9999393,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:15.124000Z",
"spacegroup": 48
},
{
"id": "mp-1209209",
"created_at": "2022-09-04T14:43:21.178612Z",
"structure_string": "Sb4 N1 F13\n1.0\n-5.041915 5.041915 3.039487\n5.041915 -5.041915 3.039487\n5.041915 5.041915 -3.039487\nSb N F\n4 1 13\ndirect\n0.732968 0.004216 0.737183 Sb\n0.267032 0.995784 0.262817 Sb\n0.004216 0.267032 0.271248 Sb\n0.995784 0.732968 0.728752 Sb\n0.500000 0.500000 0.000000 N\n0.890610 0.426975 0.317585 F\n0.109390 0.573025 0.682415 F\n0.426975 0.109390 0.536365 F\n0.573025 0.890610 0.463635 F\n0.000000 0.000000 0.000000 F\n0.658435 0.973262 0.088525 F\n0.341565 0.026738 0.911475 F\n0.884738 0.569910 0.911475 F\n0.973262 0.884738 0.314828 F\n0.115262 0.430090 0.088525 F\n0.026738 0.115262 0.685172 F\n0.569910 0.658435 0.685172 F\n0.430090 0.341565 0.314828 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Sb",
"N",
"F"
],
"chemical_system": "F-N-Sb",
"density": 4.018966959900518,
"density_atomic": 0.0582399755522242,
"volume": 309.06606380456446,
"volume_molar": 10.340218557612381,
"formula_full": "Sb4 N1 F13",
"formula_reduced": "Sb4NF13",
"formula_anonymous": "AB4C13",
"energy": -86.57704821,
"energy_per_atom": -4.8098360116666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.57104821,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0008671,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:05.502000Z",
"spacegroup": 87
},
{
"id": "mp-1213806",
"created_at": "2022-09-04T14:43:21.254369Z",
"structure_string": "Co2 I4 O20\n1.0\n0.000000 -6.322169 0.000000\n-7.570489 0.000000 1.207431\n-0.154564 0.000000 -8.142716\nCo I O\n2 4 20\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.307703 0.659026 0.961151 I\n0.692297 0.340974 0.038849 I\n0.807703 0.340974 0.538849 I\n0.192297 0.659026 0.461151 I\n0.584371 0.921171 0.683605 O\n0.415629 0.078829 0.316395 O\n0.084371 0.078829 0.816395 O\n0.915629 0.921171 0.183605 O\n0.880668 0.350852 0.758387 O\n0.119332 0.649148 0.241613 O\n0.380668 0.649148 0.741613 O\n0.619332 0.350852 0.258387 O\n0.911687 0.787245 0.918632 O\n0.088313 0.212755 0.081368 O\n0.411687 0.212755 0.581368 O\n0.588313 0.787245 0.418632 O\n0.219161 0.906611 0.517229 O\n0.780839 0.093389 0.482771 O\n0.719161 0.093389 0.982771 O\n0.280839 0.906611 0.017229 O\n0.932301 0.666544 0.560428 O\n0.067699 0.333456 0.439572 O\n0.432301 0.333456 0.939572 O\n0.567699 0.666544 0.060428 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Co",
"I",
"O"
],
"chemical_system": "Co-I-O",
"density": 4.016296361382707,
"density_atomic": 0.0665121836722407,
"volume": 390.9058245346901,
"volume_molar": 9.054191920199097,
"formula_full": "Co2 I4 O20",
"formula_reduced": "Co(IO5)2",
"formula_anonymous": "AB2C10",
"energy": -126.81381967,
"energy_per_atom": -4.877454602692308,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -109.79781967,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9999995,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:20.046000Z",
"spacegroup": 14
},
{
"id": "mp-29203",
"created_at": "2022-09-04T14:43:15.743790Z",
"structure_string": "La6 Co6 O16\n1.0\n5.432514 0.000000 0.000000\n0.000000 5.655171 0.000000\n0.000000 0.075032 11.764397\nLa Co O\n6 6 16\ndirect\n0.249798 0.250992 0.498781 La\n0.749798 0.749008 0.501219 La\n0.255783 0.268443 0.188742 La\n0.755783 0.731557 0.811258 La\n0.252711 0.267125 0.807468 La\n0.752711 0.732875 0.192532 La\n0.250407 0.750225 0.664341 Co\n0.750407 0.249775 0.335659 Co\n0.250140 0.758026 0.332496 Co\n0.750140 0.241974 0.667504 Co\n0.298504 0.812102 0.002398 Co\n0.798504 0.187898 0.997602 Co\n0.007577 0.000892 0.306599 O\n0.507577 0.999108 0.693401 O\n0.495388 0.997623 0.307294 O\n0.995388 0.002377 0.692706 O\n0.249648 0.829965 0.491793 O\n0.749648 0.170035 0.508207 O\n0.007499 0.509348 0.355548 O\n0.507499 0.490652 0.644452 O\n0.497764 0.514243 0.355790 O\n0.997764 0.485757 0.644210 O\n0.230926 0.676608 0.853427 O\n0.730926 0.323392 0.146573 O\n0.169928 0.142529 0.999636 O\n0.669928 0.857471 0.000364 O\n0.740928 0.311794 0.841436 O\n0.240928 0.688206 0.158564 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"La",
"Co",
"O"
],
"chemical_system": "Co-La-O",
"density": 6.629883539084245,
"density_atomic": 0.07747146414269823,
"volume": 361.4234003429381,
"volume_molar": 7.77336639579645,
"formula_full": "La6 Co6 O16",
"formula_reduced": "La3Co3O8",
"formula_anonymous": "A3B3C8",
"energy": -223.03889019,
"energy_per_atom": -7.965674649642857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -202.21889019,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.9994675,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:03.313000Z",
"spacegroup": 4
}
]
}