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_magnetic&page=12127",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_magnetic&page=12125",
"results": [
{
"id": "mp-1106180",
"created_at": "2022-09-04T14:44:52.865720Z",
"structure_string": "Re14 B6\n1.0\n3.777494 -6.542811 0.000000\n3.777494 6.542811 0.000000\n0.000000 0.000000 4.931986\nRe B\n14 6\ndirect\n0.666667 0.333333 0.586971 Re\n0.333333 0.666667 0.086971 Re\n0.877422 0.754843 0.750515 Re\n0.245157 0.122578 0.750515 Re\n0.877422 0.122578 0.750515 Re\n0.122578 0.245157 0.250515 Re\n0.754843 0.877422 0.250515 Re\n0.122578 0.877422 0.250515 Re\n0.453919 0.907839 0.549815 Re\n0.092161 0.546081 0.549815 Re\n0.453919 0.546081 0.549815 Re\n0.546081 0.092161 0.049815 Re\n0.907839 0.453919 0.049815 Re\n0.546081 0.453919 0.049815 Re\n0.189741 0.379481 0.841341 B\n0.620519 0.810259 0.841341 B\n0.189741 0.810259 0.841341 B\n0.810259 0.620519 0.341341 B\n0.379481 0.189741 0.341341 B\n0.810259 0.189741 0.341341 B\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Re",
"B"
],
"chemical_system": "B-Re",
"density": 18.198148393161393,
"density_atomic": 0.08203704461386432,
"volume": 243.7923025401135,
"volume_molar": 7.3407578105053455,
"formula_full": "Re14 B6",
"formula_reduced": "Re7B3",
"formula_anonymous": "A3B7",
"energy": -218.74034563000004,
"energy_per_atom": -10.937017281500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -218.74034563000004,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001968,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:48.688000Z",
"spacegroup": 186
},
{
"id": "mp-1228494",
"created_at": "2022-09-04T14:44:52.888688Z",
"structure_string": "Ba2 Pr1 Pb1 O6\n1.0\n3.139971 5.459551 0.000000\n-3.139971 5.459551 0.000000\n0.000000 3.654977 5.199382\nBa Pr Pb O\n2 1 1 6\ndirect\n0.751503 0.751503 0.239805 Ba\n0.248497 0.248497 0.760195 Ba\n0.000000 0.000000 0.500000 Pr\n0.500000 0.500000 0.000000 Pb\n0.786000 0.300235 0.196991 O\n0.699765 0.214000 0.803009 O\n0.214000 0.699765 0.803009 O\n0.300235 0.786000 0.196991 O\n0.259162 0.259162 0.316530 O\n0.740838 0.740838 0.683470 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Pr",
"Pb",
"O"
],
"chemical_system": "Ba-O-Pb-Pr",
"density": 6.6952613269575965,
"density_atomic": 0.056096493319075444,
"volume": 178.26426231529751,
"volume_molar": 10.735324801402852,
"formula_full": "Ba2 Pr1 Pb1 O6",
"formula_reduced": "Ba2PrPbO6",
"formula_anonymous": "ABC2D6",
"energy": -67.61932378,
"energy_per_atom": -6.761932378,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.49732378,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.9990715,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:45.063000Z",
"spacegroup": 12
},
{
"id": "mp-1211541",
"created_at": "2022-09-04T14:44:52.509931Z",
"structure_string": "Li24 Sm4 B12 O36\n1.0\n16.594935 0.000000 0.000000\n0.000000 6.789635 0.000000\n0.000000 1.983548 7.048731\nLi Sm B O\n24 4 12 36\ndirect\n0.966135 0.946150 0.193309 Li\n0.033865 0.053850 0.806691 Li\n0.466135 0.553850 0.806691 Li\n0.533865 0.446150 0.193309 Li\n0.554349 0.911241 0.637253 Li\n0.445651 0.088759 0.362747 Li\n0.054349 0.588759 0.362747 Li\n0.945651 0.411241 0.637253 Li\n0.469978 0.831322 0.043034 Li\n0.530022 0.168678 0.956966 Li\n0.969978 0.668678 0.956966 Li\n0.030022 0.331322 0.043034 Li\n0.706853 0.865189 0.790499 Li\n0.293147 0.134811 0.209501 Li\n0.206853 0.634811 0.209501 Li\n0.793147 0.365189 0.790499 Li\n0.796600 0.955035 0.060735 Li\n0.203400 0.044965 0.939265 Li\n0.296600 0.544965 0.939265 Li\n0.703400 0.455035 0.060735 Li\n0.995657 0.822925 0.574389 Li\n0.004343 0.177075 0.425611 Li\n0.495657 0.677075 0.425611 Li\n0.504343 0.322925 0.574389 Li\n0.689910 0.652624 0.422177 Sm\n0.310090 0.347376 0.577823 Sm\n0.189910 0.847376 0.577823 Sm\n0.810090 0.152624 0.422177 Sm\n0.881002 0.000704 0.790669 B\n0.118998 0.999296 0.209331 B\n0.381002 0.499296 0.209331 B\n0.618998 0.500704 0.790669 B\n0.615265 0.812535 0.059132 B\n0.384735 0.187465 0.940868 B\n0.115265 0.687465 0.940868 B\n0.884735 0.312535 0.059132 B\n0.865910 0.662107 0.418259 B\n0.134090 0.337893 0.581741 B\n0.365910 0.837893 0.581741 B\n0.634090 0.162107 0.418259 B\n0.947664 0.675257 0.414270 O\n0.052336 0.324743 0.585730 O\n0.447664 0.824743 0.585730 O\n0.552336 0.175257 0.414270 O\n0.697944 0.774564 0.076475 O\n0.302056 0.225436 0.923525 O\n0.197944 0.725436 0.923525 O\n0.802056 0.274564 0.076475 O\n0.816670 0.833275 0.351839 O\n0.183330 0.166725 0.648161 O\n0.316670 0.666725 0.648161 O\n0.683330 0.333275 0.351839 O\n0.568471 0.729767 0.220604 O\n0.431529 0.270233 0.779396 O\n0.068471 0.770233 0.779396 O\n0.931529 0.229767 0.220604 O\n0.413876 0.586113 0.034541 O\n0.586124 0.413887 0.965459 O\n0.913876 0.913887 0.965459 O\n0.086124 0.086113 0.034541 O\n0.579007 0.925278 0.894248 O\n0.420993 0.074722 0.105752 O\n0.079007 0.574722 0.105752 O\n0.920993 0.425278 0.894248 O\n0.427602 0.457162 0.374658 O\n0.572398 0.542838 0.625342 O\n0.927602 0.042838 0.625342 O\n0.072398 0.957162 0.374658 O\n0.672906 0.974885 0.498424 O\n0.327094 0.025115 0.501576 O\n0.172906 0.525115 0.501576 O\n0.827094 0.474885 0.498424 O\n0.200491 0.944675 0.232584 O\n0.799509 0.055325 0.767416 O\n0.700491 0.555325 0.767416 O\n0.299509 0.444675 0.232584 O\n",
"nsites": 76,
"nelements": 4,
"elements": [
"Li",
"Sm",
"B",
"O"
],
"chemical_system": "B-Li-O-Sm",
"density": 3.081310031857016,
"density_atomic": 0.09569311054302777,
"volume": 794.2055553291593,
"volume_molar": 6.2931811139028495,
"formula_full": "Li24 Sm4 B12 O36",
"formula_reduced": "Li6Sm(BO3)3",
"formula_anonymous": "AB3C6D9",
"energy": -537.1317413099999,
"energy_per_atom": -7.0675229119736835,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -512.39974131,
"band_gap": 4.6432,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:42.398000Z",
"spacegroup": 14
},
{
"id": "mp-761872",
"created_at": "2022-09-04T14:44:58.107004Z",
"structure_string": "Na4 Sn4 O6\n1.0\n-3.930227 3.930227 3.930227\n3.930227 -3.930227 3.930227\n3.930227 3.930227 -3.930227\nNa Sn O\n4 4 6\ndirect\n0.500000 0.000000 0.450159 Na\n0.049841 0.049841 0.049841 Na\n0.450159 0.500000 0.000000 Na\n0.000000 0.450159 0.500000 Na\n0.971089 0.500000 0.000000 Sn\n0.500000 0.000000 0.971089 Sn\n0.528911 0.528911 0.528911 Sn\n0.000000 0.971089 0.500000 Sn\n0.547443 0.297443 0.250000 O\n0.952557 0.202557 0.750000 O\n0.750000 0.952557 0.202557 O\n0.297443 0.250000 0.547443 O\n0.250000 0.547443 0.297443 O\n0.202557 0.750000 0.952557 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Na",
"Sn",
"O"
],
"chemical_system": "Na-O-Sn",
"density": 4.532269620464737,
"density_atomic": 0.05765210113176654,
"volume": 242.83590233775442,
"volume_molar": 10.445657038996929,
"formula_full": "Na4 Sn4 O6",
"formula_reduced": "Na2Sn2O3",
"formula_anonymous": "A2B2C3",
"energy": -74.71338784,
"energy_per_atom": -5.33667056,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.59138784,
"band_gap": 0.4260999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001277,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:52.072000Z",
"spacegroup": 199
},
{
"id": "mp-1186473",
"created_at": "2022-09-04T14:44:52.531508Z",
"structure_string": "Pm2 Pd1 Au1\n1.0\n0.000000 3.650638 3.650638\n3.650638 0.000000 3.650638\n3.650638 3.650638 0.000000\nPm Pd Au\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Pm\n0.750000 0.750000 0.750000 Pm\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pm",
"Pd",
"Au"
],
"chemical_system": "Au-Pd-Pm",
"density": 10.126293329827323,
"density_atomic": 0.041107747978261576,
"volume": 97.30525744478298,
"volume_molar": 14.649648925513027,
"formula_full": "Pm2 Pd1 Au1",
"formula_reduced": "Pm2PdAu",
"formula_anonymous": "ABC2",
"energy": -21.05564321,
"energy_per_atom": -5.2639108025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.05564321,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0026557,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:41.540000Z",
"spacegroup": 225
},
{
"id": "mp-1222797",
"created_at": "2022-09-04T14:44:52.637041Z",
"structure_string": "La1 Nd1 Al6\n1.0\n3.329637 -5.767101 0.000000\n3.329637 5.767101 0.000000\n0.000000 0.000000 4.527166\nLa Nd Al\n1 1 6\ndirect\n0.333333 0.666667 0.000000 La\n0.666667 0.333333 0.500000 Nd\n0.858749 0.141251 0.000000 Al\n0.858749 0.717499 0.000000 Al\n0.282501 0.141251 0.000000 Al\n0.139881 0.860119 0.500000 Al\n0.139881 0.279761 0.500000 Al\n0.720239 0.860119 0.500000 Al\n",
"nsites": 8,
"nelements": 3,
"elements": [
"La",
"Nd",
"Al"
],
"chemical_system": "Al-La-Nd",
"density": 4.250441707285219,
"density_atomic": 0.04601284913404455,
"volume": 173.86447808729284,
"volume_molar": 13.087954502570163,
"formula_full": "La1 Nd1 Al6",
"formula_reduced": "LaNdAl6",
"formula_anonymous": "ABC6",
"energy": -35.65694548,
"energy_per_atom": -4.457118185,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.65694548,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0097909,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:50.869000Z",
"spacegroup": 187
},
{
"id": "mp-865427",
"created_at": "2022-09-04T14:44:58.158830Z",
"structure_string": "K1 Sr1 C1 O3 F1\n1.0\n2.657132 -4.602287 0.000000\n2.657132 4.602287 0.000000\n0.000000 0.000000 4.766392\nK Sr C O F\n1 1 1 3 1\ndirect\n0.666667 0.333333 0.000000 K\n0.333333 0.666667 0.500000 Sr\n0.000000 0.000000 0.500000 C\n0.858390 0.716781 0.500000 O\n0.858390 0.141610 0.500000 O\n0.283219 0.141610 0.500000 O\n0.333333 0.666667 0.000000 F\n",
"nsites": 7,
"nelements": 5,
"elements": [
"K",
"Sr",
"C",
"O",
"F"
],
"chemical_system": "C-F-K-O-Sr",
"density": 2.9304266932243856,
"density_atomic": 0.06004702008665696,
"volume": 116.57531031344999,
"volume_molar": 10.029041826403935,
"formula_full": "K1 Sr1 C1 O3 F1",
"formula_reduced": "KSrCO3F",
"formula_anonymous": "ABCDE3",
"energy": -48.2810289,
"energy_per_atom": -6.897289842857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.7580289,
"band_gap": 4.1032,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.3e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:44.855000Z",
"spacegroup": 187
},
{
"id": "mp-1201056",
"created_at": "2022-09-04T14:44:58.088577Z",
"structure_string": "B4 Pb12 O16 F4\n1.0\n6.630500 0.000000 0.000000\n0.000000 7.777482 0.000000\n0.000000 0.000000 12.158541\nB Pb O F\n4 12 16 4\ndirect\n0.250000 0.979083 0.500000 B\n0.750000 0.020917 0.000000 B\n0.750000 0.020917 0.500000 B\n0.250000 0.979083 0.000000 B\n0.469668 0.329474 0.395199 Pb\n0.530332 0.670526 0.895199 Pb\n0.030332 0.329474 0.604801 Pb\n0.969668 0.670526 0.104801 Pb\n0.530332 0.670526 0.604801 Pb\n0.469668 0.329474 0.104801 Pb\n0.969668 0.670526 0.395199 Pb\n0.030332 0.329474 0.895199 Pb\n0.438334 0.893559 0.250000 Pb\n0.561666 0.106441 0.750000 Pb\n0.061666 0.893559 0.750000 Pb\n0.938334 0.106441 0.250000 Pb\n0.585975 0.192159 0.250000 O\n0.414025 0.807841 0.750000 O\n0.914025 0.192159 0.750000 O\n0.085975 0.807841 0.250000 O\n0.297057 0.067697 0.404109 O\n0.702943 0.932303 0.904109 O\n0.202943 0.067697 0.595891 O\n0.797057 0.932303 0.095891 O\n0.702943 0.932303 0.595891 O\n0.297057 0.067697 0.095891 O\n0.797057 0.932303 0.404109 O\n0.202943 0.067697 0.904109 O\n0.750000 0.200424 0.500000 O\n0.250000 0.799576 0.000000 O\n0.250000 0.799576 0.500000 O\n0.750000 0.200424 0.000000 O\n0.200608 0.423826 0.250000 F\n0.799392 0.576174 0.750000 F\n0.299392 0.423826 0.750000 F\n0.700608 0.576174 0.250000 F\n",
"nsites": 36,
"nelements": 4,
"elements": [
"B",
"Pb",
"O",
"F"
],
"chemical_system": "B-F-O-Pb",
"density": 7.578714000483845,
"density_atomic": 0.05741637148097434,
"volume": 626.9988693369289,
"volume_molar": 10.488542909743984,
"formula_full": "B4 Pb12 O16 F4",
"formula_reduced": "BPb3O4F",
"formula_anonymous": "ABC3D4",
"energy": -233.08951802,
"energy_per_atom": -6.474708833888889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -220.24951802,
"band_gap": 2.3654,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.001246,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:48.300000Z",
"spacegroup": 57
},
{
"id": "mp-1008807",
"created_at": "2022-09-04T14:44:52.866099Z",
"structure_string": "Rb1 Cu1 O1\n1.0\n0.000000 3.059354 3.059354\n3.059354 0.000000 3.059354\n3.059354 3.059354 0.000000\nRb Cu O\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Cu\n0.250000 0.250000 0.250000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Rb",
"Cu",
"O"
],
"chemical_system": "Cu-O-Rb",
"density": 4.784632555323565,
"density_atomic": 0.05238441059805107,
"volume": 57.26894634778258,
"volume_molar": 11.496055202774487,
"formula_full": "Rb1 Cu1 O1",
"formula_reduced": "RbCuO",
"formula_anonymous": "ABC",
"energy": -10.59931415,
"energy_per_atom": -3.5331047166666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.91231415,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.14e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:44.234000Z",
"spacegroup": 216
},
{
"id": "mp-686747",
"created_at": "2022-09-04T14:44:52.865667Z",
"structure_string": "K2 Nb6 Ag1 P3 O24\n1.0\n6.776964 5.258288 0.000000\n-6.776964 5.258288 0.000000\n0.000000 3.550984 7.880174\nK Nb Ag P O\n2 6 1 3 24\ndirect\n0.169997 0.476774 0.220238 K\n0.523226 0.830003 0.779762 K\n0.151725 0.034498 0.648641 Nb\n0.354655 0.154746 0.961462 Nb\n0.845254 0.645345 0.038538 Nb\n0.036767 0.351852 0.845574 Nb\n0.965502 0.848275 0.351359 Nb\n0.648148 0.963233 0.154426 Nb\n0.503519 0.496481 0.500000 Ag\n0.497750 0.268636 0.268382 P\n0.731364 0.502250 0.731618 P\n0.270224 0.729776 0.500000 P\n0.497511 0.020871 0.022324 O\n0.152784 0.001848 0.153797 O\n0.574779 0.125186 0.282918 O\n0.846584 0.153416 0.000000 O\n0.312403 0.067454 0.792413 O\n0.416267 0.289483 0.127820 O\n0.358322 0.235931 0.439573 O\n0.639991 0.440489 0.231880 O\n0.076438 0.212860 0.687918 O\n0.874814 0.425221 0.717082 O\n0.559511 0.360009 0.768120 O\n0.210297 0.315946 0.931687 O\n0.979129 0.502489 0.977676 O\n0.932546 0.687597 0.207587 O\n0.764069 0.641678 0.560427 O\n0.710517 0.583733 0.872180 O\n0.684054 0.789703 0.068313 O\n0.236894 0.559644 0.641821 O\n0.440356 0.763106 0.358179 O\n0.127938 0.710433 0.420775 O\n0.787140 0.923562 0.312082 O\n0.289567 0.872062 0.579225 O\n0.998152 0.847216 0.846203 O\n0.025807 0.974193 0.500000 O\n",
"nsites": 36,
"nelements": 5,
"elements": [
"K",
"Nb",
"Ag",
"P",
"O"
],
"chemical_system": "Ag-K-Nb-O-P",
"density": 3.6083569477390354,
"density_atomic": 0.0640998702339541,
"volume": 561.6236018669906,
"volume_molar": 9.39493440161449,
"formula_full": "K2 Nb6 Ag1 P3 O24",
"formula_reduced": "K2Nb6Ag(PO8)3",
"formula_anonymous": "AB2C3D6E24",
"energy": -302.55411545,
"energy_per_atom": -8.404280984722222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -286.06611545,
"band_gap": 1.6358,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00148,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:53.018000Z",
"spacegroup": 5
},
{
"id": "mp-1215938",
"created_at": "2022-09-04T14:45:01.364236Z",
"structure_string": "Yb6 Y6 Al20 O48\n1.0\n-6.057592 6.057592 6.057592\n6.057592 -6.057592 6.057592\n6.057592 6.057592 -6.057592\nYb Y Al O\n6 6 20 48\ndirect\n0.875000 0.625000 0.250000 Yb\n0.625000 0.875000 0.750000 Yb\n0.625000 0.250000 0.875000 Yb\n0.875000 0.750000 0.625000 Yb\n0.250000 0.875000 0.625000 Yb\n0.750000 0.625000 0.875000 Yb\n0.125000 0.375000 0.750000 Y\n0.375000 0.125000 0.250000 Y\n0.375000 0.750000 0.125000 Y\n0.125000 0.250000 0.375000 Y\n0.750000 0.125000 0.375000 Y\n0.250000 0.375000 0.125000 Y\n0.375430 0.625430 0.750000 Al\n0.124570 0.874570 0.250000 Al\n0.625430 0.750000 0.375430 Al\n0.874570 0.250000 0.124570 Al\n0.750000 0.375430 0.625430 Al\n0.250000 0.124570 0.874570 Al\n0.625430 0.375430 0.250000 Al\n0.874570 0.124570 0.750000 Al\n0.375430 0.250000 0.625430 Al\n0.124570 0.750000 0.874570 Al\n0.250000 0.625430 0.375430 Al\n0.750000 0.874570 0.124570 Al\n0.998201 0.500000 0.000000 Al\n0.000000 0.998201 0.500000 Al\n0.500000 0.000000 0.998201 Al\n0.501799 0.501799 0.501799 Al\n0.501799 0.500000 0.000000 Al\n0.500000 0.000000 0.501799 Al\n0.000000 0.501799 0.500000 Al\n0.998201 0.998201 0.998201 Al\n0.381579 0.581155 0.901733 O\n0.179421 0.479846 0.598267 O\n0.320579 0.918845 0.300424 O\n0.118421 0.020154 0.199576 O\n0.581155 0.901733 0.381579 O\n0.479846 0.598267 0.179421 O\n0.918845 0.300424 0.320579 O\n0.020154 0.199576 0.118421 O\n0.901733 0.381579 0.581155 O\n0.598267 0.179421 0.479846 O\n0.300424 0.320579 0.918845 O\n0.199576 0.118421 0.020154 O\n0.613913 0.416179 0.096492 O\n0.819687 0.517421 0.403508 O\n0.680313 0.083821 0.697735 O\n0.886087 0.982579 0.802265 O\n0.416179 0.096492 0.613913 O\n0.517421 0.403508 0.819687 O\n0.083821 0.697735 0.680313 O\n0.982579 0.802265 0.886087 O\n0.096492 0.613913 0.416179 O\n0.403508 0.819687 0.517421 O\n0.697735 0.680313 0.083821 O\n0.802265 0.886087 0.982579 O\n0.886087 0.403508 0.083821 O\n0.680313 0.096492 0.982579 O\n0.819687 0.802265 0.416179 O\n0.613913 0.697735 0.517421 O\n0.083821 0.886087 0.403508 O\n0.982579 0.680313 0.096492 O\n0.416179 0.819687 0.802265 O\n0.517421 0.613913 0.697735 O\n0.403508 0.083821 0.886087 O\n0.096492 0.982579 0.680313 O\n0.802265 0.416179 0.819687 O\n0.697735 0.517421 0.613913 O\n0.118421 0.598267 0.918845 O\n0.320579 0.901733 0.020154 O\n0.179421 0.199576 0.581155 O\n0.381579 0.300424 0.479846 O\n0.918845 0.118421 0.598267 O\n0.020154 0.320579 0.901733 O\n0.581155 0.179421 0.199576 O\n0.479846 0.381579 0.300424 O\n0.598267 0.918845 0.118421 O\n0.901733 0.020154 0.320579 O\n0.199576 0.581155 0.179421 O\n0.300424 0.479846 0.381579 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Yb",
"Y",
"Al",
"O"
],
"chemical_system": "Al-O-Y-Yb",
"density": 5.377402055702404,
"density_atomic": 0.08997667484984376,
"volume": 889.1193204628512,
"volume_molar": 6.693002125328547,
"formula_full": "Yb6 Y6 Al20 O48",
"formula_reduced": "Yb3Y3Al10O24",
"formula_anonymous": "A3B3C10D24",
"energy": -636.40518093,
"energy_per_atom": -7.9550647616250005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -603.42918093,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.0056906,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:47.105000Z",
"spacegroup": 214
},
{
"id": "mp-1196076",
"created_at": "2022-09-04T14:45:00.632250Z",
"structure_string": "K8 V4 S8 O38\n1.0\n7.962042 0.000000 0.000000\n3.456432 10.160406 0.000000\n3.050578 1.965728 11.709435\nK V S O\n8 4 8 38\ndirect\n0.204318 0.652013 0.054152 K\n0.795682 0.347987 0.945848 K\n0.593581 0.967042 0.158489 K\n0.406419 0.032958 0.841511 K\n0.935526 0.834956 0.449880 K\n0.064474 0.165044 0.550120 K\n0.305577 0.455313 0.644519 K\n0.694423 0.544687 0.355481 K\n0.550967 0.713875 0.699027 V\n0.449033 0.286125 0.300973 V\n0.882100 0.776628 0.811617 V\n0.117900 0.223372 0.188383 V\n0.921391 0.001847 0.849608 S\n0.078609 0.998153 0.150392 S\n0.805498 0.474892 0.639232 S\n0.194502 0.525108 0.360768 S\n0.422105 0.824570 0.504643 S\n0.577895 0.175430 0.495357 S\n0.299661 0.318088 0.972310 S\n0.700339 0.681912 0.027690 S\n0.375532 0.178506 0.027728 O\n0.624468 0.821494 0.972272 O\n0.637079 0.525132 0.737151 O\n0.362921 0.474868 0.262849 O\n0.512284 0.874833 0.578532 O\n0.487716 0.125167 0.421468 O\n0.240762 0.322668 0.867176 O\n0.759238 0.677332 0.132824 O\n0.985913 0.856193 0.907586 O\n0.014087 0.143807 0.092414 O\n0.826279 0.602927 0.567218 O\n0.173721 0.397073 0.432782 O\n0.750496 0.393963 0.580968 O\n0.249504 0.606037 0.419032 O\n0.438082 0.684191 0.576603 O\n0.561918 0.315809 0.423397 O\n0.121309 0.367717 0.064682 O\n0.878691 0.632283 0.935318 O\n0.064908 0.707833 0.728687 O\n0.935092 0.292167 0.271313 O\n0.825934 0.975364 0.764010 O\n0.174066 0.024636 0.235990 O\n0.790800 0.083938 0.929166 O\n0.209200 0.916062 0.070834 O\n0.955579 0.399601 0.698066 O\n0.044421 0.600399 0.301934 O\n0.234638 0.902377 0.507332 O\n0.765362 0.097623 0.492668 O\n0.409307 0.406976 0.962634 O\n0.590693 0.593024 0.037366 O\n0.708916 0.774300 0.741103 O\n0.291084 0.225700 0.258897 O\n0.072034 0.054522 0.787445 O\n0.927966 0.945478 0.212555 O\n0.533151 0.816259 0.391200 O\n0.466849 0.183741 0.608800 O\n0.377720 0.742118 0.801291 O\n0.622280 0.257882 0.198709 O\n",
"nsites": 58,
"nelements": 4,
"elements": [
"K",
"V",
"S",
"O"
],
"chemical_system": "K-O-S-V",
"density": 2.42095606092043,
"density_atomic": 0.061228909830988235,
"volume": 947.2649465766893,
"volume_molar": 9.835453181549488,
"formula_full": "K8 V4 S8 O38",
"formula_reduced": "K4V2S4O19",
"formula_anonymous": "A2B4C4D19",
"energy": -392.82948502,
"energy_per_atom": -6.772922155517241,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -359.92348502,
"band_gap": 2.0392,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.3091937,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:49.996000Z",
"spacegroup": 2
}
]
}