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=10417",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_magnetic&page=10415",
"results": [
{
"id": "mp-1190048",
"created_at": "2022-09-04T14:47:55.729375Z",
"structure_string": "U4 Ga4 Pd8\n1.0\n5.705277 0.000000 0.000000\n0.000000 6.959200 0.000000\n0.000000 0.000000 7.591821\nU Ga Pd\n4 4 8\ndirect\n0.347840 0.750000 0.040470 U\n0.152160 0.750000 0.540470 U\n0.652160 0.250000 0.959530 U\n0.847840 0.250000 0.459530 U\n0.658851 0.750000 0.387638 Ga\n0.841149 0.750000 0.887638 Ga\n0.341149 0.250000 0.612362 Ga\n0.158851 0.250000 0.112362 Ga\n0.914161 0.548389 0.180911 Pd\n0.585839 0.951611 0.680911 Pd\n0.085839 0.048389 0.819089 Pd\n0.414161 0.451611 0.319089 Pd\n0.085839 0.451611 0.819089 Pd\n0.414161 0.048389 0.319089 Pd\n0.914161 0.951611 0.180911 Pd\n0.585839 0.548389 0.680911 Pd\n",
"nsites": 16,
"nelements": 3,
"elements": [
"U",
"Ga",
"Pd"
],
"chemical_system": "Ga-Pd-U",
"density": 11.471613098204724,
"density_atomic": 0.05308086239413316,
"volume": 301.42690375295075,
"volume_molar": 11.34522027032026,
"formula_full": "U4 Ga4 Pd8",
"formula_reduced": "UGaPd2",
"formula_anonymous": "ABC2",
"energy": -105.89184595,
"energy_per_atom": -6.618240371875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -105.89184595,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.3632227,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:17.190000Z",
"spacegroup": 62
},
{
"id": "mp-1087477",
"created_at": "2022-09-04T14:47:55.742036Z",
"structure_string": "La2 Tc1 Ni1 O6\n1.0\n0.000000 3.962670 3.962670\n3.962670 0.000000 3.962670\n3.962670 3.962670 0.000000\nLa Tc Ni O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 La\n0.750000 0.750000 0.750000 La\n0.500000 0.500000 0.500000 Tc\n0.000000 0.000000 0.000000 Ni\n0.749212 0.749212 0.250788 O\n0.250788 0.749212 0.250788 O\n0.749212 0.250788 0.250788 O\n0.250788 0.250788 0.749212 O\n0.749212 0.250788 0.749212 O\n0.250788 0.749212 0.749212 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"La",
"Tc",
"Ni",
"O"
],
"chemical_system": "La-Ni-O-Tc",
"density": 7.078502255529198,
"density_atomic": 0.08035377475157822,
"volume": 124.44966065273233,
"volume_molar": 7.494533739849876,
"formula_full": "La2 Tc1 Ni1 O6",
"formula_reduced": "La2TcNiO6",
"formula_anonymous": "ABC2D6",
"energy": -82.2445157,
"energy_per_atom": -8.22445157,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -75.5815157,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0011018,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:16.909000Z",
"spacegroup": 225
},
{
"id": "mp-1174003",
"created_at": "2022-09-04T14:47:55.745665Z",
"structure_string": "Li5 Co3 O8\n1.0\n2.910622 5.078497 0.000000\n-2.910622 5.078497 0.000000\n0.000000 1.655696 4.695630\nLi Co O\n5 3 8\ndirect\n0.500000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.748656 0.748656 0.502389 Li\n0.251344 0.251344 0.497611 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Co\n0.257287 0.742713 0.500000 Co\n0.742713 0.257287 0.500000 Co\n0.337559 0.881307 0.756340 O\n0.881307 0.337559 0.756340 O\n0.617432 0.617432 0.275962 O\n0.112097 0.112097 0.243315 O\n0.662441 0.118693 0.243660 O\n0.118693 0.662441 0.243660 O\n0.887903 0.887903 0.756685 O\n0.382568 0.382568 0.724038 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Co",
"O"
],
"chemical_system": "Co-Li-O",
"density": 4.061100423019025,
"density_atomic": 0.11525906985239599,
"volume": 138.81770884052813,
"volume_molar": 5.224873641364729,
"formula_full": "Li5 Co3 O8",
"formula_reduced": "Li5Co3O8",
"formula_anonymous": "A3B5C8",
"energy": -98.17550657,
"energy_per_atom": -6.135969160625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -87.76550657,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0000534,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:13.392000Z",
"spacegroup": 12
},
{
"id": "mp-1100537",
"created_at": "2022-09-04T14:47:55.616708Z",
"structure_string": "Li9 Mn7 O16\n1.0\n6.061157 0.000000 0.000000\n1.498859 6.328716 0.000000\n2.094514 0.152017 7.734922\nLi Mn O\n9 7 16\ndirect\n0.934882 0.877467 0.369088 Li\n0.682307 0.369200 0.878203 Li\n0.440530 0.874970 0.374342 Li\n0.806062 0.630893 0.125381 Li\n0.559470 0.125030 0.625658 Li\n0.317693 0.630800 0.121797 Li\n0.193938 0.369107 0.874619 Li\n0.065118 0.122533 0.630912 Li\n0.500000 0.000000 0.000000 Li\n0.874266 0.751809 0.755231 Mn\n0.000000 0.000000 0.000000 Mn\n0.617978 0.249232 0.243259 Mn\n0.382022 0.750768 0.756741 Mn\n0.125734 0.248191 0.244769 Mn\n0.250038 0.499840 0.499566 Mn\n0.749962 0.500160 0.500434 Mn\n0.156127 0.795244 0.572568 O\n0.893541 0.295488 0.060697 O\n0.644569 0.800666 0.565720 O\n0.015965 0.547332 0.317803 O\n0.810512 0.041525 0.829380 O\n0.519939 0.546884 0.313448 O\n0.397939 0.306776 0.081280 O\n0.271035 0.044468 0.817220 O\n0.728965 0.955532 0.182780 O\n0.480061 0.453116 0.686552 O\n0.189488 0.958475 0.170620 O\n0.602061 0.693224 0.918720 O\n0.355431 0.199334 0.434280 O\n0.106459 0.704512 0.939303 O\n0.984035 0.452668 0.682197 O\n0.843873 0.204756 0.427432 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.9345333324179186,
"density_atomic": 0.10785068280887372,
"volume": 296.7065128063066,
"volume_molar": 5.583776201651003,
"formula_full": "Li9 Mn7 O16",
"formula_reduced": "Li9Mn7O16",
"formula_anonymous": "A7B9C16",
"energy": -228.72787526,
"energy_per_atom": -7.147746101875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -206.05987526,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 26.0007178,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:14.643000Z",
"spacegroup": 2
},
{
"id": "mp-1100441",
"created_at": "2022-09-04T14:47:55.617240Z",
"structure_string": "Cr1 Cu1 B1\n1.0\n0.000000 2.538226 2.538226\n2.538226 0.000000 2.538226\n2.538226 2.538226 0.000000\nCr Cu B\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Cu\n0.250000 0.250000 0.250000 B\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Cr",
"Cu",
"B"
],
"chemical_system": "B-Cr-Cu",
"density": 6.415258164244951,
"density_atomic": 0.09172767670165566,
"volume": 32.705505119872406,
"volume_molar": 6.56523851529241,
"formula_full": "Cr1 Cu1 B1",
"formula_reduced": "CrCuB",
"formula_anonymous": "ABC",
"energy": -19.86999094,
"energy_per_atom": -6.623330313333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.86999094,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9994674,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:17.064000Z",
"spacegroup": 216
},
{
"id": "mp-764883",
"created_at": "2022-09-04T14:47:55.634594Z",
"structure_string": "Fe8 O14 F2\n1.0\n4.647101 0.000000 0.000000\n0.000000 6.003232 0.000000\n0.000000 0.064353 9.265930\nFe O F\n8 14 2\ndirect\n0.003275 0.377127 0.871329 Fe\n0.025533 0.874181 0.882237 Fe\n0.982348 0.382126 0.379280 Fe\n0.987626 0.868422 0.381778 Fe\n0.482348 0.617874 0.620720 Fe\n0.487626 0.131578 0.618222 Fe\n0.503275 0.622873 0.128671 Fe\n0.525533 0.125819 0.117763 Fe\n0.784578 0.627095 0.477139 O\n0.802063 0.125650 0.469471 O\n0.823077 0.625916 0.970246 O\n0.825995 0.124586 0.967273 O\n0.679542 0.377146 0.719618 O\n0.695954 0.371961 0.221697 O\n0.694602 0.875726 0.221331 O\n0.284578 0.372905 0.522861 O\n0.302063 0.874350 0.530529 O\n0.323077 0.374084 0.029754 O\n0.325995 0.875414 0.032727 O\n0.195954 0.628039 0.778303 O\n0.194602 0.124274 0.778669 O\n0.179542 0.622854 0.280382 O\n0.695406 0.877791 0.724484 F\n0.195406 0.122209 0.275516 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.552866740823909,
"density_atomic": 0.09284424476721309,
"volume": 258.4974444046028,
"volume_molar": 6.4862833179366355,
"formula_full": "Fe8 O14 F2",
"formula_reduced": "Fe4O7F",
"formula_anonymous": "AB4C7",
"energy": -175.85088285,
"energy_per_atom": -7.32712011875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -147.26088285,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 34.1387561,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:18.650000Z",
"spacegroup": 4
},
{
"id": "mp-1207048",
"created_at": "2022-09-04T14:47:56.050392Z",
"structure_string": "Tm2 Ti1 Ge2\n1.0\n2.984366 0.000000 0.000000\n0.000000 2.984366 0.000000\n0.000000 0.000000 14.221935\nTm Ti Ge\n2 1 2\ndirect\n0.500000 0.500000 0.622024 Tm\n0.500000 0.500000 0.377976 Tm\n0.500000 0.500000 0.000000 Ti\n0.500000 0.500000 0.177956 Ge\n0.500000 0.500000 0.822044 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tm",
"Ti",
"Ge"
],
"chemical_system": "Ge-Ti-Tm",
"density": 6.961348460590186,
"density_atomic": 0.03947363743558599,
"volume": 126.66681676243081,
"volume_molar": 15.256108003289716,
"formula_full": "Tm2 Ti1 Ge2",
"formula_reduced": "Tm2TiGe2",
"formula_anonymous": "AB2C2",
"energy": -23.16171642,
"energy_per_atom": -4.632343284,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.16171642,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0913044,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:16.888000Z",
"spacegroup": 123
},
{
"id": "mp-1020645",
"created_at": "2022-09-04T14:47:55.640153Z",
"structure_string": "Na8 N1 O3\n1.0\n5.654071 0.000000 0.000000\n0.000000 5.654071 0.000000\n0.000000 0.000000 5.654071\nNa N O\n8 1 3\ndirect\n0.252610 0.252610 0.252610 Na\n0.747390 0.747390 0.252610 Na\n0.747390 0.252610 0.747390 Na\n0.252610 0.747390 0.747390 Na\n0.252610 0.252610 0.747390 Na\n0.747390 0.747390 0.747390 Na\n0.747390 0.252610 0.252610 Na\n0.252610 0.747390 0.252610 Na\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Na",
"N",
"O"
],
"chemical_system": "N-Na-O",
"density": 2.2592514416454987,
"density_atomic": 0.06638920571592799,
"volume": 180.7522754730138,
"volume_molar": 9.070963713239873,
"formula_full": "Na8 N1 O3",
"formula_reduced": "Na8NO3",
"formula_anonymous": "AB3C8",
"energy": -45.25993145,
"energy_per_atom": -3.771660954166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.83793145,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0013023,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:13.045000Z",
"spacegroup": 221
},
{
"id": "mp-8301",
"created_at": "2022-09-04T14:47:55.655472Z",
"structure_string": "Gd2 C1 F2\n1.0\n1.862764 -3.226403 0.000000\n1.862764 3.226403 0.000000\n0.000000 0.000000 6.582302\nGd C F\n2 1 2\ndirect\n0.333333 0.666667 0.210683 Gd\n0.666667 0.333333 0.789317 Gd\n0.000000 0.000000 0.000000 C\n0.333333 0.666667 0.618008 F\n0.666667 0.333333 0.381992 F\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Gd",
"C",
"F"
],
"chemical_system": "C-F-Gd",
"density": 7.650174210219824,
"density_atomic": 0.06319544198608383,
"volume": 79.11963019581447,
"volume_molar": 9.529390998366821,
"formula_full": "Gd2 C1 F2",
"formula_reduced": "Gd2CF2",
"formula_anonymous": "AB2C2",
"energy": -53.87654341,
"energy_per_atom": -10.775308681999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -52.95254341,
"band_gap": 0.7328000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9977016,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:18.996000Z",
"spacegroup": 164
},
{
"id": "mp-1216417",
"created_at": "2022-09-04T14:47:55.665620Z",
"structure_string": "U2 Co2 Ni2 Ge4\n1.0\n4.100888 0.000000 0.000000\n0.000000 4.100888 0.000000\n0.000000 0.000000 9.595328\nU Co Ni Ge\n2 2 2 4\ndirect\n0.000000 0.500000 0.247180 U\n0.500000 0.000000 0.752820 U\n0.000000 0.500000 0.625461 Co\n0.500000 0.000000 0.374539 Co\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.000000 Ni\n0.000000 0.000000 0.500000 Ge\n0.500000 0.500000 0.500000 Ge\n0.000000 0.500000 0.866991 Ge\n0.500000 0.000000 0.133009 Ge\n",
"nsites": 10,
"nelements": 4,
"elements": [
"U",
"Co",
"Ni",
"Ge"
],
"chemical_system": "Co-Ge-Ni-U",
"density": 10.309681908063158,
"density_atomic": 0.061970408408800484,
"volume": 161.36734058670314,
"volume_molar": 9.717768390799872,
"formula_full": "U2 Co2 Ni2 Ge4",
"formula_reduced": "UCoNiGe2",
"formula_anonymous": "ABCD2",
"energy": -70.58291648,
"energy_per_atom": -7.058291647999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.58291648,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.8010044,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:19.763000Z",
"spacegroup": 129
},
{
"id": "mp-1106057",
"created_at": "2022-09-04T14:47:55.673658Z",
"structure_string": "Dy1 Co12 B6\n1.0\n3.664612 -4.689538 0.000000\n3.664612 4.689538 0.000000\n-2.336507 0.000000 5.473745\nDy Co B\n1 12 6\ndirect\n0.000000 0.000000 0.000000 Dy\n0.132549 0.867451 0.500000 Co\n0.500000 0.132549 0.867451 Co\n0.867451 0.500000 0.132549 Co\n0.500000 0.867451 0.132549 Co\n0.132549 0.500000 0.867451 Co\n0.867451 0.132549 0.500000 Co\n0.543754 0.813834 0.543754 Co\n0.543754 0.543754 0.813834 Co\n0.813834 0.543754 0.543754 Co\n0.456246 0.186166 0.456246 Co\n0.456246 0.456246 0.186166 Co\n0.186166 0.456246 0.456246 Co\n0.767786 0.323789 0.767786 B\n0.767786 0.767786 0.323789 B\n0.323789 0.767786 0.767786 B\n0.232214 0.676211 0.232214 B\n0.232214 0.232214 0.676211 B\n0.676211 0.232214 0.232214 B\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Dy",
"Co",
"B"
],
"chemical_system": "B-Co-Dy",
"density": 8.248703388201445,
"density_atomic": 0.10099060758724085,
"volume": 188.13630746390777,
"volume_molar": 5.963070134812059,
"formula_full": "Dy1 Co12 B6",
"formula_reduced": "Dy(Co2B)6",
"formula_anonymous": "AB6C12",
"energy": -136.61119655,
"energy_per_atom": -7.190062976315789,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -136.61119655,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.9626104,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:14.190000Z",
"spacegroup": 166
},
{
"id": "mp-777886",
"created_at": "2022-09-04T14:47:55.674446Z",
"structure_string": "Li32 Mn3 Cr13 O48\n1.0\n-5.015789 0.000000 0.000000\n-0.064724 -8.717362 0.000000\n1.569263 2.718853 19.197843\nLi Mn Cr O\n32 3 13 48\ndirect\n0.989502 0.167827 0.249646 Li\n0.873676 0.374089 0.374990 Li\n0.748260 0.249690 0.999374 Li\n0.739527 0.918948 0.000108 Li\n0.996334 0.168822 0.749663 Li\n0.755866 0.580116 0.499747 Li\n0.874501 0.376209 0.874942 Li\n0.754486 0.249651 0.499967 Li\n0.739118 0.919786 0.500374 Li\n0.623376 0.123049 0.124985 Li\n0.758456 0.581253 0.000011 Li\n0.508349 0.330525 0.250616 Li\n0.623087 0.123271 0.625140 Li\n0.499242 0.000510 0.249942 Li\n0.490702 0.669302 0.250283 Li\n0.504173 0.330708 0.749843 Li\n0.374777 0.875132 0.375002 Li\n0.500578 0.000081 0.750126 Li\n0.250960 0.750306 0.000242 Li\n0.489499 0.668347 0.750007 Li\n0.244156 0.420797 0.999911 Li\n0.374748 0.874760 0.874911 Li\n0.259542 0.079747 0.500006 Li\n0.249448 0.751077 0.500149 Li\n0.125612 0.626389 0.124800 Li\n0.243645 0.420299 0.500215 Li\n0.011034 0.832255 0.250325 Li\n0.258283 0.078213 0.999443 Li\n0.124326 0.624866 0.624663 Li\n0.002599 0.500677 0.250666 Li\n0.010018 0.830665 0.750078 Li\n0.999570 0.501264 0.749699 Li\n0.374923 0.541902 0.374843 Mn\n0.376241 0.208085 0.875627 Mn\n0.128131 0.292655 0.625734 Mn\n0.867404 0.705752 0.374468 Cr\n0.880949 0.037962 0.375310 Cr\n0.868669 0.712108 0.874252 Cr\n0.882263 0.044914 0.875508 Cr\n0.626939 0.786814 0.124598 Cr\n0.625280 0.451895 0.124628 Cr\n0.624833 0.786789 0.624352 Cr\n0.624772 0.453569 0.624918 Cr\n0.372065 0.212454 0.375277 Cr\n0.374550 0.537348 0.874778 Cr\n0.118322 0.962059 0.124813 Cr\n0.129683 0.297689 0.126244 Cr\n0.119536 0.961995 0.625001 Cr\n0.968050 0.107251 0.069649 O\n0.918820 0.784733 0.068318 O\n0.936265 0.422734 0.067272 O\n0.966176 0.107845 0.569449 O\n0.829128 0.964346 0.181159 O\n0.815892 0.326042 0.183218 O\n0.919526 0.785762 0.568350 O\n0.932602 0.426871 0.567765 O\n0.782885 0.641420 0.180321 O\n0.718555 0.852033 0.318578 O\n0.829925 0.963910 0.681262 O\n0.823858 0.322728 0.682067 O\n0.675765 0.533600 0.318641 O\n0.672929 0.176613 0.317758 O\n0.780497 0.640628 0.680777 O\n0.717460 0.856613 0.818869 O\n0.464644 0.603300 0.069180 O\n0.568323 0.713910 0.430389 O\n0.576026 0.074008 0.432213 O\n0.669397 0.534976 0.818468 O\n0.676974 0.176193 0.818400 O\n0.424195 0.927675 0.067446 O\n0.438770 0.288681 0.068753 O\n0.538836 0.396812 0.431194 O\n0.466409 0.605043 0.568784 O\n0.578434 0.712891 0.931037 O\n0.567948 0.072258 0.932349 O\n0.325721 0.824326 0.181950 O\n0.312959 0.462785 0.181710 O\n0.423170 0.928439 0.567359 O\n0.429172 0.287233 0.569385 O\n0.537897 0.390603 0.931147 O\n0.285667 0.147540 0.181147 O\n0.213912 0.358136 0.319302 O\n0.326689 0.825078 0.681877 O\n0.315709 0.464453 0.681145 O\n0.181383 0.677793 0.317756 O\n0.169763 0.035908 0.318575 O\n0.290282 0.146716 0.681402 O\n0.212583 0.354943 0.819468 O\n0.073143 0.574061 0.431606 O\n0.081386 0.214919 0.431475 O\n0.172239 0.677127 0.817495 O\n0.182512 0.036545 0.819342 O\n0.032178 0.894520 0.431134 O\n0.078653 0.574141 0.932247 O\n0.073778 0.215663 0.931327 O\n0.030903 0.897574 0.931259 O\n",
"nsites": 96,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Cr",
"O"
],
"chemical_system": "Cr-Li-Mn-O",
"density": 3.621798531089652,
"density_atomic": 0.11436534848521439,
"volume": 839.4150961942049,
"volume_molar": 5.265704026406711,
"formula_full": "Li32 Mn3 Cr13 O48",
"formula_reduced": "Li32Mn3Cr13O48",
"formula_anonymous": "A3B13C32D48",
"energy": -665.89571582,
"energy_per_atom": -6.936413706458333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -601.92871582,
"band_gap": 0.9782000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 35.2724975,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:22.430000Z",
"spacegroup": 1
}
]
}