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=energy_above_hull&page=66",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_above_hull&page=64",
"results": [
{
"id": "mp-770726",
"created_at": "2022-09-04T14:42:08.870919Z",
"structure_string": "Li36 Al4 Co8 O32\n1.0\n6.388208 0.000000 0.000000\n0.000000 7.578983 0.000000\n0.000000 0.000000 15.931869\nLi Al Co O\n36 4 8 32\ndirect\n0.018355 0.533937 0.069116 Li\n0.481645 0.533937 0.069116 Li\n0.750000 0.338132 0.141419 Li\n0.008837 0.100876 0.119954 Li\n0.491163 0.100876 0.119954 Li\n0.250000 0.330402 0.161458 Li\n0.750000 0.804902 0.194051 Li\n0.509297 0.550695 0.211403 Li\n0.990703 0.550695 0.211403 Li\n0.009297 0.050695 0.288597 Li\n0.490703 0.050695 0.288597 Li\n0.250000 0.304902 0.305949 Li\n0.750000 0.830402 0.338542 Li\n0.991163 0.600876 0.380046 Li\n0.508837 0.600876 0.380046 Li\n0.250000 0.838132 0.358581 Li\n0.518355 0.033937 0.430884 Li\n0.981645 0.033937 0.430884 Li\n0.018355 0.966063 0.569116 Li\n0.481645 0.966063 0.569116 Li\n0.750000 0.161868 0.641419 Li\n0.491163 0.399124 0.619954 Li\n0.008837 0.399124 0.619954 Li\n0.250000 0.169598 0.661458 Li\n0.750000 0.695098 0.694051 Li\n0.509297 0.949305 0.711403 Li\n0.990703 0.949305 0.711403 Li\n0.009297 0.449305 0.788597 Li\n0.490703 0.449305 0.788597 Li\n0.250000 0.195098 0.805949 Li\n0.750000 0.669598 0.838542 Li\n0.991163 0.899124 0.880046 Li\n0.508837 0.899124 0.880046 Li\n0.250000 0.661868 0.858581 Li\n0.518355 0.466063 0.930884 Li\n0.981645 0.466063 0.930884 Li\n0.250000 0.839351 0.004751 Al\n0.750000 0.339351 0.495249 Al\n0.250000 0.660649 0.504751 Al\n0.750000 0.160649 0.995249 Al\n0.750000 0.768254 0.032999 Co\n0.250000 0.796458 0.198413 Co\n0.750000 0.296458 0.301587 Co\n0.250000 0.268254 0.467001 Co\n0.750000 0.731746 0.532999 Co\n0.250000 0.703542 0.698413 Co\n0.750000 0.203542 0.801587 Co\n0.250000 0.231746 0.967001 Co\n0.976592 0.289474 0.023661 O\n0.523408 0.289474 0.023661 O\n0.750000 0.005143 0.083337 O\n0.750000 0.591364 0.129291 O\n0.250000 0.568505 0.141561 O\n0.250000 0.960227 0.100595 O\n0.503179 0.278820 0.223227 O\n0.996821 0.278820 0.223227 O\n0.003179 0.778820 0.276773 O\n0.496821 0.778820 0.276773 O\n0.750000 0.460227 0.399405 O\n0.750000 0.068505 0.358439 O\n0.250000 0.091364 0.370709 O\n0.250000 0.505143 0.416663 O\n0.476592 0.789474 0.476339 O\n0.023408 0.789474 0.476339 O\n0.976592 0.210526 0.523661 O\n0.523408 0.210526 0.523661 O\n0.750000 0.494857 0.583337 O\n0.750000 0.908636 0.629291 O\n0.250000 0.931495 0.641561 O\n0.250000 0.539773 0.600595 O\n0.503179 0.221180 0.723227 O\n0.996821 0.221180 0.723227 O\n0.003179 0.721180 0.776773 O\n0.496821 0.721180 0.776773 O\n0.750000 0.039773 0.899405 O\n0.750000 0.431495 0.858439 O\n0.250000 0.408636 0.870709 O\n0.250000 0.994857 0.916663 O\n0.476592 0.710526 0.976339 O\n0.023408 0.710526 0.976339 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Li",
"Al",
"Co",
"O"
],
"chemical_system": "Al-Co-Li-O",
"density": 2.887364705137179,
"density_atomic": 0.10371301961787104,
"volume": 771.3592786591184,
"volume_molar": 5.806542690771594,
"formula_full": "Li36 Al4 Co8 O32",
"formula_reduced": "Li9Al(CoO4)2",
"formula_anonymous": "AB2C8D9",
"energy": -464.7145444,
"energy_per_atom": -5.808931805,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -429.6265444,
"band_gap": 1.9766,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 23.9962483,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:39.173000Z",
"spacegroup": 62
},
{
"id": "mp-17290",
"created_at": "2022-09-04T14:42:08.887657Z",
"structure_string": "Li4 Sb4 W4 O24\n1.0\n4.759288 0.000000 0.000000\n0.000000 5.093905 0.000000\n0.000000 0.000000 17.740704\nLi Sb W O\n4 4 4 24\ndirect\n0.000000 0.750000 0.047929 Li\n0.500000 0.250000 0.452071 Li\n0.000000 0.250000 0.952071 Li\n0.500000 0.750000 0.547929 Li\n0.000000 0.750000 0.718463 Sb\n0.000000 0.250000 0.281537 Sb\n0.500000 0.750000 0.218463 Sb\n0.500000 0.250000 0.781537 Sb\n0.500000 0.250000 0.103237 W\n0.000000 0.250000 0.603237 W\n0.500000 0.750000 0.896763 W\n0.000000 0.750000 0.396763 W\n0.293829 0.560892 0.136153 O\n0.739915 0.920205 0.793325 O\n0.239915 0.079795 0.706675 O\n0.760085 0.420205 0.706675 O\n0.260085 0.579795 0.793325 O\n0.260085 0.079795 0.206675 O\n0.760085 0.920205 0.293325 O\n0.239915 0.579795 0.293325 O\n0.793829 0.439108 0.363847 O\n0.293829 0.060892 0.863847 O\n0.706171 0.939108 0.136153 O\n0.206171 0.060892 0.363847 O\n0.206171 0.560892 0.636153 O\n0.706171 0.439108 0.863847 O\n0.753840 0.393926 0.042393 O\n0.793829 0.939108 0.636153 O\n0.753840 0.893926 0.957607 O\n0.253840 0.606074 0.457607 O\n0.746160 0.893926 0.457607 O\n0.246160 0.106074 0.042393 O\n0.246160 0.606074 0.957607 O\n0.746160 0.393926 0.542393 O\n0.253840 0.106074 0.542393 O\n0.739915 0.420205 0.206675 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Li",
"Sb",
"W",
"O"
],
"chemical_system": "Li-O-Sb-W",
"density": 6.309242675541272,
"density_atomic": 0.08370257593261958,
"volume": 430.0942903953151,
"volume_molar": 7.194689880091399,
"formula_full": "Li4 Sb4 W4 O24",
"formula_reduced": "LiSbWO6",
"formula_anonymous": "ABCD6",
"energy": -270.7457907,
"energy_per_atom": -7.520716408333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -236.5057907,
"band_gap": 2.1215,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 4.9e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:41.383000Z",
"spacegroup": 60
},
{
"id": "mp-581696",
"created_at": "2022-09-04T14:42:08.893787Z",
"structure_string": "Cs2 Lu4 Cu6 Se10\n1.0\n2.043696 -7.334386 0.000000\n2.043696 7.334386 0.000000\n0.000000 0.000000 17.120743\nCs Lu Cu Se\n2 4 6 10\ndirect\n0.061105 0.938895 0.750000 Cs\n0.938895 0.061105 0.250000 Cs\n0.192552 0.807448 0.408091 Lu\n0.192552 0.807448 0.091909 Lu\n0.807448 0.192552 0.591909 Lu\n0.807448 0.192552 0.908091 Lu\n0.654968 0.345032 0.250000 Cu\n0.582226 0.417774 0.966637 Cu\n0.417774 0.582226 0.033363 Cu\n0.345032 0.654968 0.750000 Cu\n0.417774 0.582226 0.466637 Cu\n0.582226 0.417774 0.533363 Cu\n0.238893 0.761107 0.250000 Se\n0.829553 0.170447 0.069528 Se\n0.761107 0.238893 0.750000 Se\n0.170447 0.829553 0.569528 Se\n0.170447 0.829553 0.930472 Se\n0.436344 0.563656 0.887305 Se\n0.563656 0.436344 0.112695 Se\n0.436344 0.563656 0.612695 Se\n0.563656 0.436344 0.387305 Se\n0.829553 0.170447 0.430472 Se\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Cs",
"Lu",
"Cu",
"Se"
],
"chemical_system": "Cs-Cu-Lu-Se",
"density": 6.91242597775481,
"density_atomic": 0.04286373581003248,
"volume": 513.2543765550829,
"volume_molar": 14.049500460457969,
"formula_full": "Cs2 Lu4 Cu6 Se10",
"formula_reduced": "CsLu2Cu3Se5",
"formula_anonymous": "AB2C3D5",
"energy": -108.0390741,
"energy_per_atom": -4.910867004545454,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -103.3190741,
"band_gap": 1.2562000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002935,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:42.771000Z",
"spacegroup": 63
},
{
"id": "mp-1369438",
"created_at": "2022-09-04T14:42:08.894445Z",
"structure_string": "Sr2 Mg2 Fe2 P4 O16\n1.0\n5.588943 0.000000 0.000000\n-0.964233 6.720127 0.000000\n-1.918178 -3.593500 8.587900\nSr Mg Fe P O\n2 2 2 4 16\ndirect\n0.204172 0.746551 0.052628 Sr\n0.795828 0.253449 0.947372 Sr\n0.348642 0.753430 0.647944 Mg\n0.651358 0.246570 0.352056 Mg\n0.074725 0.289401 0.555670 Fe\n0.925275 0.710599 0.444330 Fe\n0.155721 0.187777 0.233513 P\n0.844279 0.812223 0.766487 P\n0.542987 0.723613 0.302167 P\n0.457013 0.276387 0.697833 P\n0.941548 0.667833 0.885123 O\n0.443956 0.268689 0.207844 O\n0.894437 0.040798 0.766958 O\n0.269910 0.429873 0.685090 O\n0.556044 0.731311 0.792156 O\n0.429127 0.153032 0.582840 O\n0.570873 0.846968 0.417160 O\n0.381206 0.131888 0.866589 O\n0.105563 0.959202 0.233042 O\n0.618794 0.868112 0.133411 O\n0.058452 0.332167 0.114877 O\n0.978393 0.190991 0.393998 O\n0.021607 0.809009 0.606002 O\n0.259920 0.588623 0.362217 O\n0.730090 0.570127 0.314910 O\n0.740080 0.411377 0.637783 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Sr",
"Mg",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Mg-O-P-Sr",
"density": 3.683149453331215,
"density_atomic": 0.08060819718692905,
"volume": 322.54784137779984,
"volume_molar": 7.4708788561971655,
"formula_full": "Sr2 Mg2 Fe2 P4 O16",
"formula_reduced": "SrMgFe(PO4)2",
"formula_anonymous": "ABCD2E8",
"energy": -113.6742392,
"energy_per_atom": -4.372086123076923,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -98.1702392,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0545973,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:35.794000Z",
"spacegroup": 2
},
{
"id": "mp-1105900",
"created_at": "2022-09-04T14:42:08.936457Z",
"structure_string": "Ba2 Ho2 Co4 O12\n1.0\n-3.780941 0.000000 0.000000\n0.000000 0.000000 -7.885730\n0.000000 -7.826658 0.000000\nBa Ho Co O\n2 2 4 12\ndirect\n0.500000 0.000000 0.247323 Ba\n0.500000 0.000000 0.752677 Ba\n0.500000 0.500000 0.232048 Ho\n0.500000 0.500000 0.767952 Ho\n0.000000 0.742019 0.500000 Co\n0.000000 0.257981 0.500000 Co\n0.000000 0.743645 0.000000 Co\n0.000000 0.256355 0.000000 Co\n0.000000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.709242 0.000000 O\n0.500000 0.290758 0.000000 O\n0.500000 0.728332 0.500000 O\n0.500000 0.271668 0.500000 O\n0.000000 0.711723 0.243350 O\n0.000000 0.711723 0.756650 O\n0.000000 0.288277 0.756650 O\n0.000000 0.288277 0.243350 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ba",
"Ho",
"Co",
"O"
],
"chemical_system": "Ba-Co-Ho-O",
"density": 7.34533679668121,
"density_atomic": 0.08570612010159477,
"volume": 233.3555640634799,
"volume_molar": 7.026500269597368,
"formula_full": "Ba2 Ho2 Co4 O12",
"formula_reduced": "BaHo(CoO3)2",
"formula_anonymous": "ABC2D6",
"energy": -144.37735507,
"energy_per_atom": -7.2188677535,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -129.58135507,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.82955,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:35.877000Z",
"spacegroup": 47
},
{
"id": "mp-1203421",
"created_at": "2022-09-04T14:42:08.937223Z",
"structure_string": "K20 Hf12 O4 F68\n1.0\n8.526346 0.000000 0.000000\n0.000000 13.427910 0.000000\n0.000000 0.000000 15.409289\nK Hf O F\n20 12 4 68\ndirect\n0.838246 0.267155 0.871699 K\n0.338246 0.232845 0.628301 K\n0.161754 0.732845 0.371699 K\n0.661754 0.767155 0.128301 K\n0.161754 0.732845 0.128301 K\n0.661754 0.767155 0.371699 K\n0.838246 0.267155 0.628301 K\n0.338246 0.232845 0.871699 K\n0.593224 0.093266 0.437229 K\n0.093224 0.406734 0.062771 K\n0.406776 0.906734 0.937229 K\n0.906776 0.593266 0.562771 K\n0.406776 0.906734 0.562771 K\n0.906776 0.593266 0.937229 K\n0.593224 0.093266 0.062771 K\n0.093224 0.406734 0.437229 K\n0.636762 0.740005 0.750000 K\n0.136762 0.759995 0.750000 K\n0.363238 0.259995 0.250000 K\n0.863238 0.240005 0.250000 K\n0.915814 0.896367 0.939583 Hf\n0.415814 0.603633 0.560417 Hf\n0.084186 0.103633 0.439583 Hf\n0.584186 0.396367 0.060417 Hf\n0.084186 0.103633 0.060417 Hf\n0.584186 0.396367 0.439583 Hf\n0.915814 0.896367 0.560417 Hf\n0.415814 0.603633 0.939583 Hf\n0.649031 0.048186 0.750000 Hf\n0.149031 0.451814 0.750000 Hf\n0.350969 0.951814 0.250000 Hf\n0.850969 0.548186 0.250000 Hf\n0.828894 0.920300 0.250000 O\n0.328894 0.579700 0.250000 O\n0.171106 0.079700 0.750000 O\n0.671106 0.420300 0.750000 O\n0.929375 0.056697 0.955699 F\n0.429375 0.443303 0.544301 F\n0.070625 0.943303 0.455699 F\n0.570625 0.556697 0.044301 F\n0.070625 0.943303 0.044301 F\n0.570625 0.556697 0.455699 F\n0.929375 0.056697 0.544301 F\n0.429375 0.443303 0.955699 F\n0.935787 0.778001 0.021193 F\n0.435787 0.721999 0.478807 F\n0.064213 0.221999 0.521193 F\n0.564213 0.278001 0.978807 F\n0.064213 0.221999 0.978807 F\n0.564213 0.278001 0.521193 F\n0.935787 0.778001 0.478807 F\n0.435787 0.721999 0.021193 F\n0.874630 0.776676 0.862012 F\n0.374630 0.723324 0.637988 F\n0.125370 0.223324 0.362012 F\n0.625370 0.276676 0.137988 F\n0.125370 0.223324 0.137988 F\n0.625370 0.276676 0.362012 F\n0.874630 0.776676 0.637988 F\n0.374630 0.723324 0.862012 F\n0.790300 0.954155 0.834617 F\n0.290300 0.545845 0.665383 F\n0.209700 0.045845 0.334617 F\n0.709700 0.454155 0.165383 F\n0.209700 0.045845 0.165383 F\n0.709700 0.454155 0.334617 F\n0.790300 0.954155 0.665383 F\n0.290300 0.545845 0.834617 F\n0.708627 0.911280 0.002150 F\n0.208627 0.588720 0.497850 F\n0.291373 0.088720 0.502150 F\n0.791373 0.411280 0.997850 F\n0.291373 0.088720 0.997850 F\n0.791373 0.411280 0.502150 F\n0.708627 0.911280 0.497850 F\n0.208627 0.588720 0.002150 F\n0.119874 0.901257 0.875775 F\n0.619874 0.598743 0.624225 F\n0.880126 0.098743 0.375775 F\n0.380126 0.401257 0.124225 F\n0.880126 0.098743 0.124225 F\n0.380126 0.401257 0.375775 F\n0.119874 0.901257 0.624225 F\n0.619874 0.598743 0.875775 F\n0.851639 0.125025 0.750000 F\n0.351639 0.374975 0.750000 F\n0.148361 0.874975 0.250000 F\n0.648361 0.625025 0.250000 F\n0.554740 0.068287 0.630335 F\n0.054740 0.431713 0.869665 F\n0.445260 0.931713 0.130335 F\n0.945260 0.568287 0.369665 F\n0.445260 0.931713 0.369665 F\n0.945260 0.568287 0.130335 F\n0.554740 0.068287 0.869665 F\n0.054740 0.431713 0.630335 F\n0.503976 0.927337 0.750000 F\n0.003976 0.572663 0.750000 F\n0.496024 0.072663 0.250000 F\n0.996024 0.427337 0.250000 F\n0.567385 0.192549 0.750000 F\n0.067385 0.307451 0.750000 F\n0.432615 0.807451 0.250000 F\n0.932615 0.692549 0.250000 F\n",
"nsites": 104,
"nelements": 4,
"elements": [
"K",
"Hf",
"O",
"F"
],
"chemical_system": "F-Hf-K-O",
"density": 4.028209071701901,
"density_atomic": 0.05894939669649004,
"volume": 1764.225010401037,
"volume_molar": 10.215780139372605,
"formula_full": "K20 Hf12 O4 F68",
"formula_reduced": "K5Hf3OF17",
"formula_anonymous": "AB3C5D17",
"energy": -659.63204219,
"energy_per_atom": -6.342615790288462,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -625.46804219,
"band_gap": 0.8072999999999999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0006893,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:43.823000Z",
"spacegroup": 62
},
{
"id": "mp-1101185",
"created_at": "2022-09-04T14:42:08.896309Z",
"structure_string": "V6 O2 F22\n1.0\n5.295000 0.000000 0.000000\n0.039640 5.481690 0.000000\n0.066558 2.699485 14.796633\nV O F\n6 2 22\ndirect\n0.994750 0.970369 0.993091 V\n0.499716 0.166144 0.666582 V\n0.999874 0.333752 0.332906 V\n0.477892 0.445542 0.004465 V\n0.999570 0.666026 0.666525 V\n0.500091 0.833820 0.332928 V\n0.295017 0.203363 0.025032 O\n0.092098 0.063252 0.890399 O\n0.200570 0.026169 0.356916 F\n0.701529 0.141268 0.309580 F\n0.417054 0.208837 0.551284 F\n0.086299 0.376898 0.217690 F\n0.583117 0.125277 0.781974 F\n0.916990 0.292130 0.448509 F\n0.589321 0.473359 0.112686 F\n0.200302 0.358491 0.690322 F\n0.298558 0.527248 0.356557 F\n0.206828 0.692342 0.026550 F\n0.777211 0.294844 0.975287 F\n0.701314 0.473281 0.643277 F\n0.799293 0.641164 0.309300 F\n0.419816 0.564125 0.889041 F\n0.084236 0.707941 0.551223 F\n0.417627 0.876685 0.217604 F\n0.917382 0.624545 0.782243 F\n0.582783 0.791533 0.448375 F\n0.929393 0.986428 0.111364 F\n0.298161 0.859592 0.690117 F\n0.713926 0.801891 0.975104 F\n0.799282 0.973686 0.643068 F\n",
"nsites": 30,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 2.921493947197951,
"density_atomic": 0.06985185059011971,
"volume": 429.4803895180322,
"volume_molar": 8.621304531124062,
"formula_full": "V6 O2 F22",
"formula_reduced": "V3OF11",
"formula_anonymous": "AB3C11",
"energy": -192.74534786,
"energy_per_atom": -6.424844928666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -171.00734786,
"band_gap": 1.7703999999999998,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 0.0001497,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.686000Z",
"spacegroup": 1
},
{
"id": "mp-22595",
"created_at": "2022-09-04T14:42:08.900696Z",
"structure_string": "U2 As2 Se2\n1.0\n3.976463 0.000000 0.000000\n0.000000 3.976463 0.000000\n0.000000 0.000000 8.407975\nU As Se\n2 2 2\ndirect\n0.000000 0.500000 0.727464 U\n0.500000 0.000000 0.272536 U\n0.000000 0.000000 0.000000 As\n0.500000 0.500000 0.000000 As\n0.500000 0.000000 0.634637 Se\n0.000000 0.500000 0.365363 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"U",
"As",
"Se"
],
"chemical_system": "As-Se-U",
"density": 9.789955101909376,
"density_atomic": 0.04513006375727395,
"volume": 132.9490698765728,
"volume_molar": 13.343966878463288,
"formula_full": "U2 As2 Se2",
"formula_reduced": "UAsSe",
"formula_anonymous": "ABC",
"energy": -45.645493290000005,
"energy_per_atom": -7.607582215000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.70149329,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.8918138,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:40.506000Z",
"spacegroup": 129
},
{
"id": "mp-1020703",
"created_at": "2022-09-04T14:42:08.903765Z",
"structure_string": "Si2 Ge2 N4 O2\n1.0\n4.566324 2.841585 0.000000\n-4.566324 2.841585 0.000000\n0.000000 0.041418 5.033787\nSi Ge N O\n2 2 4 2\ndirect\n0.668328 0.016467 0.591697 Si\n0.016467 0.668328 0.591697 Si\n0.967219 0.324597 0.086653 Ge\n0.324597 0.967219 0.086653 Ge\n0.060712 0.657787 0.252380 N\n0.657787 0.060712 0.252380 N\n0.882648 0.337159 0.732336 N\n0.337159 0.882648 0.732336 N\n0.259763 0.259763 0.139409 O\n0.806021 0.806021 0.666460 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Si",
"Ge",
"N",
"O"
],
"chemical_system": "Ge-N-O-Si",
"density": 3.679682566133122,
"density_atomic": 0.07655045821675928,
"volume": 130.6327908800249,
"volume_molar": 7.866890545511543,
"formula_full": "Si2 Ge2 N4 O2",
"formula_reduced": "SiGeN2O",
"formula_anonymous": "ABCD2",
"energy": -76.97822954,
"energy_per_atom": -7.697822954,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -74.16022954,
"band_gap": 3.4637,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001111,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.367000Z",
"spacegroup": 8
},
{
"id": "mp-1097053",
"created_at": "2022-09-04T14:42:08.910725Z",
"structure_string": "Li8 Zr8 O20\n1.0\n5.604214 0.000000 0.000000\n0.000000 8.200774 0.000000\n0.000000 0.000000 11.364651\nLi Zr O\n8 8 20\ndirect\n0.049714 0.412601 0.088157 Li\n0.049714 0.087399 0.411843 Li\n0.450286 0.412601 0.911843 Li\n0.450286 0.087399 0.588157 Li\n0.950286 0.587399 0.911843 Li\n0.950286 0.912601 0.588157 Li\n0.549714 0.587399 0.088157 Li\n0.549714 0.912601 0.411843 Li\n0.534695 0.338704 0.411961 Zr\n0.534695 0.161296 0.088039 Zr\n0.965305 0.338704 0.588039 Zr\n0.965305 0.161296 0.911961 Zr\n0.465305 0.661296 0.588039 Zr\n0.465305 0.838704 0.911961 Zr\n0.034695 0.661296 0.411961 Zr\n0.034695 0.838704 0.088039 Zr\n0.479910 0.250000 0.250000 O\n0.020090 0.250000 0.750000 O\n0.520090 0.750000 0.750000 O\n0.979910 0.750000 0.250000 O\n0.250000 0.862506 0.500000 O\n0.250000 0.637494 0.000000 O\n0.750000 0.137494 0.500000 O\n0.750000 0.362506 0.000000 O\n0.250000 0.226167 0.500000 O\n0.250000 0.273833 0.000000 O\n0.750000 0.773833 0.500000 O\n0.750000 0.726167 0.000000 O\n0.381912 0.935937 0.101225 O\n0.381912 0.564063 0.398775 O\n0.118088 0.935937 0.898775 O\n0.118088 0.564063 0.601225 O\n0.881912 0.435937 0.398775 O\n0.881912 0.064063 0.101225 O\n0.618088 0.435937 0.601225 O\n0.618088 0.064063 0.898775 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Li",
"Zr",
"O"
],
"chemical_system": "Li-O-Zr",
"density": 3.5140404239358762,
"density_atomic": 0.06892501083472323,
"volume": 522.3067731730239,
"volume_molar": 8.73723585541484,
"formula_full": "Li8 Zr8 O20",
"formula_reduced": "Li2Zr2O5",
"formula_anonymous": "A2B2C5",
"energy": -295.80830365,
"energy_per_atom": -8.216897323611112,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -282.06830365,
"band_gap": 3.8449,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001161,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.258000Z",
"spacegroup": 52
},
{
"id": "mp-774401",
"created_at": "2022-09-04T14:42:08.915292Z",
"structure_string": "Co1 Sb1 O4\n1.0\n-1.955624 1.955624 4.647448\n1.955624 -1.955624 4.647448\n1.955624 1.955624 -4.647448\nCo Sb O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Co\n0.750000 0.250000 0.500000 Sb\n0.537193 0.037193 0.500000 O\n0.203258 0.203258 0.000000 O\n0.962807 0.462807 0.500000 O\n0.796742 0.796742 0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Co",
"Sb",
"O"
],
"chemical_system": "Co-O-Sb",
"density": 5.715069052024481,
"density_atomic": 0.08439291791823623,
"volume": 71.09601312533212,
"volume_molar": 7.13583664192596,
"formula_full": "Co1 Sb1 O4",
"formula_reduced": "CoSbO4",
"formula_anonymous": "ABC4",
"energy": -40.1267547,
"energy_per_atom": -6.68779245,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.7407547,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.16e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.335000Z",
"spacegroup": 119
},
{
"id": "mp-20803",
"created_at": "2022-09-04T14:42:08.923921Z",
"structure_string": "U2 Sb2 As2\n1.0\n4.137589 0.000000 0.000000\n0.000000 4.137589 0.000000\n0.000000 0.000000 8.379037\nU Sb As\n2 2 2\ndirect\n0.000000 0.500000 0.697404 U\n0.500000 0.000000 0.302596 U\n0.500000 0.500000 0.000000 Sb\n0.000000 0.000000 0.000000 Sb\n0.000000 0.500000 0.355560 As\n0.500000 0.000000 0.644440 As\n",
"nsites": 6,
"nelements": 3,
"elements": [
"U",
"Sb",
"As"
],
"chemical_system": "As-Sb-U",
"density": 10.064458837794366,
"density_atomic": 0.041827551730025385,
"volume": 143.44611988592618,
"volume_molar": 14.39754542381471,
"formula_full": "U2 Sb2 As2",
"formula_reduced": "USbAs",
"formula_anonymous": "ABC",
"energy": -43.58090361,
"energy_per_atom": -7.263483935,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.19690361,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.6742013,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:34.816000Z",
"spacegroup": 129
}
]
}