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_anonymous&page=93",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=91",
"results": [
{
"id": "mp-1521478",
"created_at": "2022-09-04T14:47:36.733899Z",
"structure_string": "Na1 Ca1 Ce1 Sb1 O6\n1.0\n-0.000000 -4.192269 -4.192269\n4.192269 0.000000 -4.192269\n4.192269 -4.192269 -0.000000\nNa Ca Ce Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Ca\n-0.000000 -0.000000 -0.000000 Ce\n0.500000 0.500000 0.500000 Sb\n0.737523 0.262477 0.262477 O\n0.262477 0.737523 0.737523 O\n0.737523 0.262477 0.737523 O\n0.262477 0.737523 0.262477 O\n0.737523 0.737523 0.262477 O\n0.262477 0.262477 0.737523 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"Ca",
"Ce",
"Sb",
"O"
],
"chemical_system": "Ca-Ce-Na-O-Sb",
"density": 4.743425108286436,
"density_atomic": 0.06786136316082873,
"volume": 147.35925619855877,
"volume_molar": 8.874181831166235,
"formula_full": "Na1 Ca1 Ce1 Sb1 O6",
"formula_reduced": "NaCaCeSbO6",
"formula_anonymous": "ABCDE6",
"energy": -70.39516714,
"energy_per_atom": -7.0395167139999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.27316714,
"band_gap": 2.0266,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:12.144000Z",
"spacegroup": 216
},
{
"id": "mp-1522522",
"created_at": "2022-09-04T14:45:14.761391Z",
"structure_string": "Ba2 Ce2 Eu2 Nb2 O12\n1.0\n6.111072 0.004268 -0.020522\n-0.000409 6.170604 -0.010237\n-0.035287 -0.019867 8.667104\nBa Ce Eu Nb O\n2 2 2 2 12\ndirect\n0.509530 0.537105 0.249149 Ba\n0.490470 0.462895 0.750851 Ba\n0.000000 0.500000 0.000000 Ce\n0.500000 -0.000000 0.500000 Ce\n0.990751 0.046755 0.252188 Eu\n0.009249 0.953245 0.747812 Eu\n0.500000 -0.000000 0.000000 Nb\n0.000000 0.500000 0.500000 Nb\n0.224188 0.187487 0.954401 O\n0.264716 0.699766 0.540750 O\n0.775812 0.812513 0.045599 O\n0.735284 0.300234 0.459250 O\n0.303359 0.733214 0.957132 O\n0.183028 0.222147 0.543992 O\n0.696641 0.266786 0.042868 O\n0.816972 0.777853 0.456008 O\n0.406444 0.991098 0.230688 O\n0.068583 0.470938 0.268496 O\n0.593556 0.008902 0.769312 O\n0.931417 0.529062 0.731504 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Ba",
"Ce",
"Eu",
"Nb",
"O"
],
"chemical_system": "Ba-Ce-Eu-Nb-O",
"density": 6.283095947521035,
"density_atomic": 0.061195357798857965,
"volume": 326.8221760503089,
"volume_molar": 9.840845738322304,
"formula_full": "Ba2 Ce2 Eu2 Nb2 O12",
"formula_reduced": "BaCeEuNbO6",
"formula_anonymous": "ABCDE6",
"energy": -182.59087829000003,
"energy_per_atom": -9.129543914500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -174.34687829,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0059998,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:04.252000Z",
"spacegroup": 2
},
{
"id": "mp-1040806",
"created_at": "2022-09-04T14:48:03.384117Z",
"structure_string": "Ca4 La4 Ta4 Cr4 O24\n1.0\n-0.000015 5.654866 -0.000042\n-5.450165 -0.000048 8.490700\n5.537010 -0.000078 8.567765\nCa La Ta Cr O\n4 4 4 4 24\ndirect\n0.450269 0.133496 0.611325 Ca\n0.450279 0.633492 0.111322 Ca\n0.049714 0.633497 0.611317 Ca\n0.049733 0.133497 0.111341 Ca\n0.954110 0.368215 0.387216 La\n0.954090 0.868215 0.887217 La\n0.545890 0.868218 0.387205 La\n0.545910 0.368207 0.887222 La\n0.003263 0.750786 0.250978 Ta\n0.003264 0.250778 0.750987 Ta\n0.496749 0.250786 0.250980 Ta\n0.496748 0.750787 0.750985 Ta\n0.998443 0.499238 0.001321 Cr\n0.501544 0.999217 0.001336 Cr\n0.998407 0.999245 0.501322 Cr\n0.501594 0.499233 0.501318 Cr\n0.452669 0.085603 0.192510 O\n0.452663 0.585601 0.692508 O\n0.047339 0.085602 0.692508 O\n0.047335 0.585600 0.192510 O\n0.208512 0.368175 0.582484 O\n0.208511 0.868173 0.082484 O\n0.291462 0.868162 0.582522 O\n0.291465 0.368155 0.082526 O\n0.215773 0.180661 0.384910 O\n0.215776 0.680660 0.884916 O\n0.284230 0.680660 0.384913 O\n0.284231 0.180660 0.884913 O\n0.718710 0.316571 0.617007 O\n0.718713 0.816574 0.117006 O\n0.781296 0.816575 0.617005 O\n0.781290 0.316579 0.117005 O\n0.702342 0.129968 0.418597 O\n0.702351 0.629969 0.918596 O\n0.797662 0.629967 0.418599 O\n0.797657 0.129965 0.918597 O\n0.957467 0.917300 0.303625 O\n0.957466 0.417306 0.803624 O\n0.542533 0.917301 0.803623 O\n0.542538 0.417301 0.303624 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Ca",
"La",
"Ta",
"Cr",
"O"
],
"chemical_system": "Ca-Cr-La-O-Ta",
"density": 6.366560788482205,
"density_atomic": 0.0754843964082136,
"volume": 529.9108412244988,
"volume_molar": 7.977994190259857,
"formula_full": "Ca4 La4 Ta4 Cr4 O24",
"formula_reduced": "CaLaTaCrO6",
"formula_anonymous": "ABCDE6",
"energy": -364.2702935699999,
"energy_per_atom": -9.106757339249999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -339.78629357,
"band_gap": 1.9194000000000004,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:13.990000Z",
"spacegroup": 7
},
{
"id": "mp-1518717",
"created_at": "2022-09-04T14:46:37.259228Z",
"structure_string": "Ca1 Eu1 Zr1 Ti1 O6\n1.0\n0.000000 -4.024785 -4.024785\n4.024785 0.000000 -4.024785\n4.024785 -4.024785 -0.000000\nCa Eu Zr Ti O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ca\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 Zr\n-0.000000 0.000000 0.000000 Ti\n0.757754 0.242246 0.242246 O\n0.242246 0.757754 0.757754 O\n0.757754 0.242246 0.757754 O\n0.242246 0.757754 0.242246 O\n0.757754 0.757754 0.242246 O\n0.242246 0.242246 0.757754 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ca",
"Eu",
"Zr",
"Ti",
"O"
],
"chemical_system": "Ca-Eu-O-Ti-Zr",
"density": 5.439393903919052,
"density_atomic": 0.07669056672241831,
"volume": 130.39413356006384,
"volume_molar": 7.852518265769444,
"formula_full": "Ca1 Eu1 Zr1 Ti1 O6",
"formula_reduced": "CaEuZrTiO6",
"formula_anonymous": "ABCDE6",
"energy": -93.50248188,
"energy_per_atom": -9.350248188,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -89.38048187999999,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.0027481,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:45.981000Z",
"spacegroup": 216
},
{
"id": "mp-1518992",
"created_at": "2022-09-04T14:42:25.997862Z",
"structure_string": "K1 Zr1 Ge1 Bi1 O6\n1.0\n-0.000000 -3.996249 -3.996249\n3.996249 0.000000 -3.996249\n3.996249 -3.996249 -0.000000\nK Zr Ge Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Zr\n-0.000000 -0.000000 -0.000000 Ge\n0.750000 0.750000 0.750000 Bi\n0.761643 0.238357 0.238357 O\n0.238357 0.761643 0.761643 O\n0.761643 0.238357 0.761643 O\n0.238357 0.761643 0.238357 O\n0.761643 0.761643 0.238357 O\n0.238357 0.238357 0.761643 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Zr",
"Ge",
"Bi",
"O"
],
"chemical_system": "Bi-Ge-K-O-Zr",
"density": 6.608047028111718,
"density_atomic": 0.07834519800846322,
"volume": 127.64024157447088,
"volume_molar": 7.686675014018676,
"formula_full": "K1 Zr1 Ge1 Bi1 O6",
"formula_reduced": "KZrGeBiO6",
"formula_anonymous": "ABCDE6",
"energy": -71.37906797,
"energy_per_atom": -7.137906796999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.25706797,
"band_gap": 1.3028000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:42.976000Z",
"spacegroup": 216
},
{
"id": "mp-1517581",
"created_at": "2022-09-04T14:41:13.007116Z",
"structure_string": "Ba1 Na1 Sm1 Se1 O6\n1.0\n0.000000 -4.122617 -4.122617\n4.122617 0.000000 -4.122617\n4.122617 -4.122617 0.000000\nBa Na Sm Se O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Na\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 0.000000 Se\n0.777152 0.222848 0.222848 O\n0.222848 0.777152 0.777152 O\n0.777152 0.222848 0.777152 O\n0.222848 0.777152 0.222848 O\n0.777152 0.777152 0.222848 O\n0.222848 0.222848 0.777152 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Na",
"Sm",
"Se",
"O"
],
"chemical_system": "Ba-Na-O-Se-Sm",
"density": 5.7545116592205545,
"density_atomic": 0.07135937456710778,
"volume": 140.13575736423812,
"volume_molar": 8.439172563566485,
"formula_full": "Ba1 Na1 Sm1 Se1 O6",
"formula_reduced": "BaNaSmSeO6",
"formula_anonymous": "ABCDE6",
"energy": -64.98391742,
"energy_per_atom": -6.498391742,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -60.86191742,
"band_gap": 1.8646000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.107000Z",
"spacegroup": 216
},
{
"id": "mp-1278251",
"created_at": "2022-09-04T14:40:19.119118Z",
"structure_string": "Sr2 La2 Ti2 Mn2 O12\n1.0\n-2.854705 4.915033 0.000495\n0.039369 3.300213 9.087483\n2.760514 4.860932 0.044320\nSr La Ti Mn O\n2 2 2 2 12\ndirect\n0.867899 0.373979 0.876115 Sr\n0.386438 0.874988 0.374523 Sr\n0.633688 0.121093 0.625781 La\n0.113502 0.619194 0.127687 La\n0.488098 0.497980 0.506607 Ti\n0.012916 0.997631 0.995800 Ti\n0.250550 0.249543 0.250906 Mn\n0.750071 0.750213 0.749500 Mn\n0.961688 0.870792 0.838913 O\n0.400581 0.384530 0.314522 O\n0.404254 0.886679 0.912541 O\n0.834272 0.377824 0.435426 O\n0.839752 0.878206 0.376782 O\n0.310697 0.372459 0.875079 O\n0.097449 0.619165 0.569080 O\n0.667984 0.123689 0.041022 O\n0.672465 0.627101 0.126601 O\n0.206063 0.127502 0.621914 O\n0.522741 0.626280 0.683751 O\n0.078887 0.121150 0.197446 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Sr",
"La",
"Ti",
"Mn",
"O"
],
"chemical_system": "La-Mn-O-Sr-Ti",
"density": 5.67352120338355,
"density_atomic": 0.08033054598349983,
"volume": 248.97129423355432,
"volume_molar": 7.496700895369202,
"formula_full": "Sr2 La2 Ti2 Mn2 O12",
"formula_reduced": "SrLaTiMnO6",
"formula_anonymous": "ABCDE6",
"energy": -171.88525589,
"energy_per_atom": -8.5942627945,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -160.30525589,
"band_gap": 1.5587,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0010948,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.323000Z",
"spacegroup": 1
},
{
"id": "mp-1518932",
"created_at": "2022-09-04T14:46:05.183182Z",
"structure_string": "Sr4 Ca4 La4 Bi4 O24\n1.0\n8.496135 0.000000 0.000000\n0.000000 8.541829 0.000000\n0.000000 0.000000 8.555839\nSr Ca La Bi O\n4 4 4 4 24\ndirect\n0.500000 -0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.500000 0.000000 Sr\n-0.000000 0.000000 0.500000 Sr\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.250000 Ca\n0.750000 0.250000 0.750000 Ca\n0.250000 0.750000 0.750000 Ca\n0.000000 0.500000 0.500000 La\n0.500000 -0.000000 0.000000 La\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 La\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\n0.989872 0.195921 0.284195 O\n0.010128 0.804079 0.284195 O\n0.010128 0.195921 0.715805 O\n0.989872 0.804079 0.715805 O\n0.290615 0.990948 0.187722 O\n0.290615 0.009052 0.812278 O\n0.709385 0.009052 0.187722 O\n0.709385 0.990948 0.812278 O\n0.196795 0.281358 0.989119 O\n0.803205 0.281358 0.010881 O\n0.196795 0.718642 0.010881 O\n0.803205 0.718642 0.989119 O\n0.510128 0.304079 0.215805 O\n0.489872 0.695921 0.215805 O\n0.489872 0.304079 0.784195 O\n0.510128 0.695921 0.784195 O\n0.209385 0.509052 0.312278 O\n0.209385 0.490948 0.687722 O\n0.790615 0.490948 0.312278 O\n0.790615 0.509052 0.687722 O\n0.303205 0.218642 0.510881 O\n0.696795 0.218642 0.489119 O\n0.303205 0.781358 0.489119 O\n0.696795 0.781358 0.510881 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"La",
"Bi",
"O"
],
"chemical_system": "Bi-Ca-La-O-Sr",
"density": 6.114366074503108,
"density_atomic": 0.06442065113890497,
"volume": 620.9189024456036,
"volume_molar": 9.348152577680333,
"formula_full": "Sr4 Ca4 La4 Bi4 O24",
"formula_reduced": "SrCaLaBiO6",
"formula_anonymous": "ABCDE6",
"energy": -278.62690187,
"energy_per_atom": -6.96567254675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -262.13890187,
"band_gap": 2.1151,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:21.079000Z",
"spacegroup": 48
},
{
"id": "mp-1516717",
"created_at": "2022-09-04T14:42:27.815523Z",
"structure_string": "Eu1 Mg1 Sn1 W1 O6\n1.0\n-0.000000 -4.011791 -4.011791\n4.011791 -0.000000 -4.011791\n4.011791 -4.011791 0.000000\nEu Mg Sn W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Eu\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Sn\n0.500000 0.500000 0.500000 W\n0.743186 0.256814 0.256814 O\n0.256814 0.743186 0.743186 O\n0.743186 0.256814 0.743186 O\n0.256814 0.743186 0.256814 O\n0.743186 0.743186 0.256814 O\n0.256814 0.256814 0.743186 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Eu",
"Mg",
"Sn",
"W",
"O"
],
"chemical_system": "Eu-Mg-O-Sn-W",
"density": 7.391500276077924,
"density_atomic": 0.07743817424777197,
"volume": 129.13527594289476,
"volume_molar": 7.776708088095541,
"formula_full": "Eu1 Mg1 Sn1 W1 O6",
"formula_reduced": "EuMgSnWO6",
"formula_anonymous": "ABCDE6",
"energy": -83.37174927999999,
"energy_per_atom": -8.337174928,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -74.81174928,
"band_gap": 0.2325999999999997,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 7.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:48.728000Z",
"spacegroup": 216
},
{
"id": "mp-1522571",
"created_at": "2022-09-04T14:45:09.273554Z",
"structure_string": "Ba1 Sr1 Pr1 Sn1 O6\n1.0\n0.000000 -4.382555 -4.382555\n4.382555 0.000000 -4.382555\n4.382555 -4.382555 -0.000000\nBa Sr Pr Sn O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Sr\n-0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Sn\n0.735797 0.264203 0.264203 O\n0.264203 0.735797 0.735797 O\n0.735797 0.264203 0.735797 O\n0.264203 0.735797 0.264203 O\n0.735797 0.735797 0.264203 O\n0.264203 0.264203 0.735797 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Pr",
"Sn",
"O"
],
"chemical_system": "Ba-O-Pr-Sn-Sr",
"density": 5.726442075441538,
"density_atomic": 0.05940019614511327,
"volume": 168.3496124418552,
"volume_molar": 10.138250630162993,
"formula_full": "Ba1 Sr1 Pr1 Sn1 O6",
"formula_reduced": "BaSrPrSnO6",
"formula_anonymous": "ABCDE6",
"energy": -69.61719739,
"energy_per_atom": -6.961719739,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.49519739,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:50.921000Z",
"spacegroup": 216
},
{
"id": "mp-1519350",
"created_at": "2022-09-04T14:46:40.570659Z",
"structure_string": "Ca2 La2 Fe2 Bi2 O12\n1.0\n5.798651 0.000000 0.000000\n0.000000 5.798651 0.000000\n0.000000 0.000000 8.507775\nCa La Fe Bi O\n2 2 2 2 12\ndirect\n0.000000 0.500000 0.250000 Ca\n0.500000 0.000000 0.750000 Ca\n0.000000 0.000000 0.500000 La\n0.500000 0.500000 -0.000000 La\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 0.250000 Bi\n0.000000 0.500000 0.750000 Bi\n-0.000000 -0.000000 0.232705 O\n0.500000 0.500000 0.267295 O\n0.000000 0.000000 0.767295 O\n0.500000 0.500000 0.732705 O\n0.312845 0.135124 0.004660 O\n0.687155 0.864876 0.004660 O\n0.864876 0.312845 0.995340 O\n0.135124 0.687155 0.995340 O\n0.812845 0.364876 0.504660 O\n0.187155 0.635124 0.504660 O\n0.364876 0.187155 0.495340 O\n0.635124 0.812845 0.495340 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Ca",
"La",
"Fe",
"Bi",
"O"
],
"chemical_system": "Bi-Ca-Fe-La-O",
"density": 6.266806361592529,
"density_atomic": 0.0699133412280611,
"volume": 286.0684334161475,
"volume_molar": 8.61372186512364,
"formula_full": "Ca2 La2 Fe2 Bi2 O12",
"formula_reduced": "CaLaFeBiO6",
"formula_anonymous": "ABCDE6",
"energy": -142.7951777,
"energy_per_atom": -7.139758885000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -130.0391777,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0000006,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:43.796000Z",
"spacegroup": 118
},
{
"id": "mp-1520738",
"created_at": "2022-09-04T14:40:06.362097Z",
"structure_string": "Na1 Gd1 Mg1 Fe1 O6\n1.0\n-0.000000 -3.814938 -3.814938\n3.814938 -0.000000 -3.814938\n3.814938 -3.814938 -0.000000\nNa Gd Mg Fe O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Gd\n0.500000 0.500000 0.500000 Mg\n-0.000000 -0.000000 -0.000000 Fe\n0.760066 0.239934 0.239934 O\n0.239934 0.760066 0.760066 O\n0.760066 0.239934 0.760066 O\n0.239934 0.760066 0.239934 O\n0.760066 0.760066 0.239934 O\n0.239934 0.239934 0.760066 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"Gd",
"Mg",
"Fe",
"O"
],
"chemical_system": "Fe-Gd-Mg-Na-O",
"density": 5.329389851417166,
"density_atomic": 0.09005494216029858,
"volume": 111.04332266628869,
"volume_molar": 6.68718519554489,
"formula_full": "Na1 Gd1 Mg1 Fe1 O6",
"formula_reduced": "NaGdMgFeO6",
"formula_anonymous": "ABCDE6",
"energy": -76.34261971,
"energy_per_atom": -7.634261970999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.96461971,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.0000007,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.820000Z",
"spacegroup": 216
}
]
}