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=68",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=66",
"results": [
{
"id": "mp-1521691",
"created_at": "2022-09-04T14:39:32.704082Z",
"structure_string": "Na1 Pr1 Zr1 Fe1 O6\n1.0\n-0.000000 -3.997034 -3.997034\n3.997034 -0.000000 -3.997034\n3.997034 -3.997034 0.000000\nNa Pr Zr Fe O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Pr\n0.500000 0.500000 0.500000 Zr\n0.000000 -0.000000 -0.000000 Fe\n0.757924 0.242076 0.242076 O\n0.242076 0.757924 0.757924 O\n0.757924 0.242076 0.757924 O\n0.242076 0.757924 0.242076 O\n0.757924 0.757924 0.242076 O\n0.242076 0.242076 0.757924 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"Pr",
"Zr",
"Fe",
"O"
],
"chemical_system": "Fe-Na-O-Pr-Zr",
"density": 5.291274684192699,
"density_atomic": 0.07829904711054463,
"volume": 127.71547507955928,
"volume_molar": 7.6912056815937815,
"formula_full": "Na1 Pr1 Zr1 Fe1 O6",
"formula_reduced": "NaPrZrFeO6",
"formula_anonymous": "ABCDE6",
"energy": -79.49343134,
"energy_per_atom": -7.949343134,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -73.11543134,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0000008,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.717000Z",
"spacegroup": 216
},
{
"id": "mp-1520309",
"created_at": "2022-09-04T14:39:34.147057Z",
"structure_string": "K1 Eu1 Sn1 Bi1 O6\n1.0\n0.000000 -4.217463 -4.217463\n4.217463 -0.000000 -4.217463\n4.217463 -4.217463 0.000000\nK Eu Sn Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 Sn\n0.000000 -0.000000 0.000000 Bi\n0.746020 0.253980 0.253980 O\n0.253980 0.746020 0.746020 O\n0.746020 0.253980 0.746020 O\n0.253980 0.746020 0.253980 O\n0.746020 0.746020 0.253980 O\n0.253980 0.253980 0.746020 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Eu",
"Sn",
"Bi",
"O"
],
"chemical_system": "Bi-Eu-K-O-Sn",
"density": 6.803982059716474,
"density_atomic": 0.06665245659780104,
"volume": 150.031979471405,
"volume_molar": 9.035136988782314,
"formula_full": "K1 Eu1 Sn1 Bi1 O6",
"formula_reduced": "KEuSnBiO6",
"formula_anonymous": "ABCDE6",
"energy": -69.26263021,
"energy_per_atom": -6.926263021,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.14063021,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.7317165,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.203000Z",
"spacegroup": 216
},
{
"id": "mp-1519230",
"created_at": "2022-09-04T14:39:33.550879Z",
"structure_string": "Na4 Sr4 Ce4 Bi4 O24\n1.0\n8.515915 0.000000 0.000000\n0.000000 8.532094 0.000000\n0.000000 0.000000 8.533606\nNa Sr Ce Bi O\n4 4 4 4 24\ndirect\n0.000000 -0.000000 -0.000000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.500000 0.500000 Na\n0.500000 -0.000000 -0.000000 Na\n0.500000 -0.000000 0.500000 Sr\n0.500000 0.500000 -0.000000 Sr\n0.000000 0.500000 -0.000000 Sr\n0.000000 -0.000000 0.500000 Sr\n0.250000 0.250000 0.250000 Ce\n0.750000 0.750000 0.250000 Ce\n0.750000 0.250000 0.750000 Ce\n0.250000 0.750000 0.750000 Ce\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\n0.994737 0.203728 0.280976 O\n0.005263 0.796272 0.280976 O\n0.005263 0.203728 0.719024 O\n0.994737 0.796272 0.719024 O\n0.293213 0.994925 0.215866 O\n0.293213 0.005075 0.784134 O\n0.706787 0.005075 0.215866 O\n0.706787 0.994925 0.784134 O\n0.215238 0.294292 0.994760 O\n0.784762 0.294292 0.005240 O\n0.215238 0.705708 0.005240 O\n0.784762 0.705708 0.994760 O\n0.505263 0.296272 0.219024 O\n0.494737 0.703728 0.219024 O\n0.494737 0.296272 0.780976 O\n0.505263 0.703728 0.780976 O\n0.206787 0.505075 0.284134 O\n0.206787 0.494925 0.715866 O\n0.793213 0.494925 0.284134 O\n0.793213 0.505075 0.715866 O\n0.284762 0.205708 0.505240 O\n0.715238 0.205708 0.494760 O\n0.284762 0.794292 0.494760 O\n0.715238 0.794292 0.505240 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Na",
"Sr",
"Ce",
"Bi",
"O"
],
"chemical_system": "Bi-Ce-Na-O-Sr",
"density": 5.952946186297073,
"density_atomic": 0.06451199232248216,
"volume": 620.0397563300827,
"volume_molar": 9.334916723539648,
"formula_full": "Na4 Sr4 Ce4 Bi4 O24",
"formula_reduced": "NaSrCeBiO6",
"formula_anonymous": "ABCDE6",
"energy": -273.49372636,
"energy_per_atom": -6.837343159,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -257.00572636,
"band_gap": 1.7302999999999995,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.562000Z",
"spacegroup": 48
},
{
"id": "mp-1521898",
"created_at": "2022-09-04T14:39:31.580646Z",
"structure_string": "Ba1 Ca1 Ce1 Ti1 O6\n1.0\n0.000000 -4.197193 -4.197193\n4.197193 0.000000 -4.197193\n4.197193 -4.197193 0.000000\nBa Ca Ce Ti O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Ti\n0.735531 0.264469 0.264469 O\n0.264469 0.735531 0.735531 O\n0.735531 0.264469 0.735531 O\n0.264469 0.735531 0.264469 O\n0.735531 0.735531 0.264469 O\n0.264469 0.264469 0.735531 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Ca",
"Ce",
"Ti",
"O"
],
"chemical_system": "Ba-Ca-Ce-O-Ti",
"density": 5.180899746729713,
"density_atomic": 0.06762280551539404,
"volume": 147.87910563284072,
"volume_molar": 8.905487895838757,
"formula_full": "Ba1 Ca1 Ce1 Ti1 O6",
"formula_reduced": "BaCaCeTiO6",
"formula_anonymous": "ABCDE6",
"energy": -81.81050932,
"energy_per_atom": -8.181050932,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.68850932,
"band_gap": 2.1876,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.415000Z",
"spacegroup": 216
},
{
"id": "mp-1519155",
"created_at": "2022-09-04T14:39:29.673494Z",
"structure_string": "Ba4 Ce4 Eu4 W4 O24\n1.0\n8.823897 0.000000 0.000000\n0.000000 8.806700 0.000000\n0.000000 0.000000 8.782735\nBa Ce Eu W O\n4 4 4 4 24\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.000000 0.000000 0.500000 Ba\n0.750580 0.748841 0.750462 Ce\n0.249420 0.251159 0.750462 Ce\n0.249420 0.748841 0.249538 Ce\n0.750580 0.251159 0.249538 Ce\n0.000000 0.500000 0.500000 Eu\n0.500000 0.500000 0.000000 Eu\n0.500000 0.000000 0.000000 Eu\n0.000000 0.500000 0.000000 Eu\n0.249257 0.250847 0.250423 W\n0.750743 0.749153 0.250423 W\n0.750743 0.250847 0.749577 W\n0.249257 0.749153 0.749577 W\n0.012573 0.211781 0.283466 O\n0.987427 0.788219 0.283466 O\n0.987427 0.211781 0.716534 O\n0.012573 0.788219 0.716534 O\n0.288004 0.016456 0.205724 O\n0.288004 0.983544 0.794276 O\n0.711996 0.983544 0.205724 O\n0.711996 0.016456 0.794276 O\n0.207531 0.287309 0.013375 O\n0.792469 0.287309 0.986625 O\n0.207531 0.712691 0.986625 O\n0.792469 0.712691 0.013375 O\n0.487835 0.292022 0.212032 O\n0.512165 0.707978 0.212032 O\n0.512165 0.292022 0.787968 O\n0.487835 0.707978 0.787968 O\n0.212431 0.483655 0.292634 O\n0.212431 0.516345 0.707366 O\n0.787569 0.516345 0.292634 O\n0.787569 0.483655 0.707366 O\n0.289371 0.217201 0.485469 O\n0.710629 0.217201 0.514531 O\n0.289371 0.782799 0.514531 O\n0.710629 0.782799 0.485469 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Ba",
"Ce",
"Eu",
"W",
"O"
],
"chemical_system": "Ba-Ce-Eu-O-W",
"density": 6.902413620911925,
"density_atomic": 0.05860795662425292,
"volume": 682.5011876194187,
"volume_molar": 10.275295551778273,
"formula_full": "Ba4 Ce4 Eu4 W4 O24",
"formula_reduced": "BaCeEuWO6",
"formula_anonymous": "ABCDE6",
"energy": -169.53505685,
"energy_per_atom": -4.23837642125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -135.29505685,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.8600689,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.994000Z",
"spacegroup": 16
},
{
"id": "mp-1517613",
"created_at": "2022-09-04T14:39:32.726075Z",
"structure_string": "K1 Ce1 Mn1 W1 O6\n1.0\n-0.000000 -4.062881 -4.062881\n4.062881 0.000000 -4.062881\n4.062881 -4.062881 -0.000000\nK Ce Mn W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 Ce\n-0.000000 -0.000000 -0.000000 Mn\n0.500000 0.500000 0.500000 W\n0.738776 0.261224 0.261224 O\n0.261224 0.738776 0.738776 O\n0.738776 0.261224 0.738776 O\n0.261224 0.738776 0.261224 O\n0.738776 0.738776 0.261224 O\n0.261224 0.261224 0.738776 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Ce",
"Mn",
"W",
"O"
],
"chemical_system": "Ce-K-Mn-O-W",
"density": 6.363124260831615,
"density_atomic": 0.07455344179830511,
"volume": 134.1319697493475,
"volume_molar": 8.077616022466325,
"formula_full": "K1 Ce1 Mn1 W1 O6",
"formula_reduced": "KCeMnWO6",
"formula_anonymous": "ABCDE6",
"energy": -83.79528497999999,
"energy_per_atom": -8.379528497999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -73.56728498,
"band_gap": 0.1443000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.451000Z",
"spacegroup": 216
},
{
"id": "mp-1044001",
"created_at": "2022-09-04T14:39:21.434036Z",
"structure_string": "La2 Mg2 Fe2 Mo2 O12\n1.0\n5.624527 0.000000 0.000000\n0.000000 5.451969 0.000000\n0.000000 5.313044 7.835549\nLa Mg Fe Mo O\n2 2 2 2 12\ndirect\n0.295443 0.233936 0.753422 La\n0.704557 0.233936 0.253422 La\n0.803960 0.776700 0.750986 Mg\n0.196040 0.776700 0.250986 Mg\n0.749442 0.997706 0.001052 Fe\n0.250558 0.997706 0.501052 Fe\n0.755615 0.498203 0.503217 Mo\n0.244385 0.498203 0.003217 Mo\n0.279651 0.393841 0.248130 O\n0.443935 0.111818 0.067136 O\n0.446936 0.747289 0.437041 O\n0.553064 0.747289 0.937041 O\n0.556065 0.111818 0.567136 O\n0.720349 0.393841 0.748130 O\n0.807580 0.658522 0.249542 O\n0.982886 0.855933 0.432030 O\n0.966021 0.226051 0.057442 O\n0.033979 0.226051 0.557442 O\n0.017114 0.855933 0.932030 O\n0.192420 0.658522 0.749542 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"La",
"Mg",
"Fe",
"Mo",
"O"
],
"chemical_system": "Fe-La-Mg-Mo-O",
"density": 5.680721647949931,
"density_atomic": 0.0832379126968033,
"volume": 240.27512646611677,
"volume_molar": 7.234853163528783,
"formula_full": "La2 Mg2 Fe2 Mo2 O12",
"formula_reduced": "LaMgFeMoO6",
"formula_anonymous": "ABCDE6",
"energy": -162.04548948,
"energy_per_atom": -8.102274474,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -142.88548948,
"band_gap": 1.2386999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9993384,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.601000Z",
"spacegroup": 7
},
{
"id": "mp-1520664",
"created_at": "2022-09-04T14:39:24.443407Z",
"structure_string": "Sr1 Sm1 Hf1 Cr1 O6\n1.0\n0.000000 -4.008193 -4.008193\n4.008193 -0.000000 -4.008193\n4.008193 -4.008193 0.000000\nSr Sm Hf Cr O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sm\n0.500000 0.500000 0.500000 Hf\n0.000000 -0.000000 -0.000000 Cr\n0.754357 0.245643 0.245643 O\n0.245643 0.754357 0.754357 O\n0.754357 0.245643 0.754357 O\n0.245643 0.754357 0.245643 O\n0.754357 0.754357 0.245643 O\n0.245643 0.245643 0.754357 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Sm",
"Hf",
"Cr",
"O"
],
"chemical_system": "Cr-Hf-O-Sm-Sr",
"density": 7.277937487955328,
"density_atomic": 0.0776469012735019,
"volume": 128.78814010589036,
"volume_molar": 7.75580307936273,
"formula_full": "Sr1 Sm1 Hf1 Cr1 O6",
"formula_reduced": "SrSmHfCrO6",
"formula_anonymous": "ABCDE6",
"energy": -88.94862669999998,
"energy_per_atom": -8.894862669999998,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -82.8276267,
"band_gap": 2.6321000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0000005,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.711000Z",
"spacegroup": 216
},
{
"id": "mp-1522476",
"created_at": "2022-09-04T14:39:05.420468Z",
"structure_string": "K1 Sr1 Ce1 Sb1 O6\n1.0\n0.000000 -4.232164 -4.232164\n4.232164 0.000000 -4.232164\n4.232164 -4.232164 -0.000000\nK Sr Ce Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Sr\n-0.000000 0.000000 -0.000000 Ce\n0.500000 0.500000 0.500000 Sb\n0.737407 0.262593 0.262593 O\n0.262593 0.737407 0.737407 O\n0.737407 0.262593 0.737407 O\n0.262593 0.737407 0.262593 O\n0.737407 0.737407 0.262593 O\n0.262593 0.262593 0.737407 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Sr",
"Ce",
"Sb",
"O"
],
"chemical_system": "Ce-K-O-Sb-Sr",
"density": 5.307704194180307,
"density_atomic": 0.06596028727097356,
"volume": 151.60637428576806,
"volume_molar": 9.129949260621398,
"formula_full": "K1 Sr1 Ce1 Sb1 O6",
"formula_reduced": "KSrCeSbO6",
"formula_anonymous": "ABCDE6",
"energy": -70.95420143,
"energy_per_atom": -7.095420143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.83220143,
"band_gap": 1.9233,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.765000Z",
"spacegroup": 216
},
{
"id": "mp-1521811",
"created_at": "2022-09-04T14:39:10.950695Z",
"structure_string": "Sr1 Zr1 Ti1 Sn1 O6\n1.0\n-0.000000 -4.068819 -4.068819\n4.068819 -0.000000 -4.068819\n4.068819 -4.068819 0.000000\nSr Zr Ti Sn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 Zr\n-0.000000 -0.000000 0.000000 Ti\n0.750000 0.750000 0.750000 Sn\n0.757915 0.242085 0.242085 O\n0.242085 0.757915 0.757915 O\n0.757915 0.242085 0.757915 O\n0.242085 0.757915 0.242085 O\n0.757915 0.757915 0.242085 O\n0.242085 0.242085 0.757915 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Zr",
"Ti",
"Sn",
"O"
],
"chemical_system": "O-Sn-Sr-Ti-Zr",
"density": 5.440808466612836,
"density_atomic": 0.0742275099383605,
"volume": 134.72094117536923,
"volume_molar": 8.113084710777533,
"formula_full": "Sr1 Zr1 Ti1 Sn1 O6",
"formula_reduced": "SrZrTiSnO6",
"formula_anonymous": "ABCDE6",
"energy": -82.94236086,
"energy_per_atom": -8.294236086,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -78.82036086,
"band_gap": 2.2854,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.473000Z",
"spacegroup": 216
},
{
"id": "mp-1043870",
"created_at": "2022-09-04T14:39:10.731459Z",
"structure_string": "La2 Mg2 Fe2 Ni2 O12\n1.0\n5.463001 0.000175 -0.000121\n0.000170 5.315619 0.014047\n-0.000171 0.021713 7.604697\nLa Mg Fe Ni O\n2 2 2 2 12\ndirect\n0.034928 0.992544 0.249150 La\n0.465101 0.492640 0.749144 La\n0.558252 0.528482 0.247873 Mg\n0.941703 0.028550 0.747841 Mg\n0.502570 0.000402 0.001945 Fe\n0.997442 0.500341 0.501953 Fe\n0.497027 0.001343 0.497575 Ni\n0.002975 0.501375 0.997576 Ni\n0.020863 0.630711 0.742286 O\n0.206642 0.184037 0.941162 O\n0.193245 0.200551 0.556955 O\n0.306716 0.700475 0.056940 O\n0.293337 0.683953 0.441162 O\n0.479142 0.130668 0.242319 O\n0.549101 0.926570 0.755896 O\n0.739243 0.272715 0.558231 O\n0.732469 0.262802 0.948885 O\n0.767654 0.762772 0.448915 O\n0.760721 0.772621 0.058257 O\n0.950870 0.426450 0.255931 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"La",
"Mg",
"Fe",
"Ni",
"O"
],
"chemical_system": "Fe-La-Mg-Ni-O",
"density": 5.6207081533965635,
"density_atomic": 0.09056621822218959,
"volume": 220.83289324208317,
"volume_molar": 6.649433837709387,
"formula_full": "La2 Mg2 Fe2 Ni2 O12",
"formula_reduced": "LaMgFeNiO6",
"formula_anonymous": "ABCDE6",
"energy": -144.82454546,
"energy_per_atom": -7.241227273,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -126.98654546,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0068856,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:28.187000Z",
"spacegroup": 7
},
{
"id": "mp-1218222",
"created_at": "2022-09-04T14:39:09.230910Z",
"structure_string": "Sr2 La2 Co2 Ru2 O12\n1.0\n5.659663 0.000000 0.000000\n0.000000 5.650658 0.000000\n0.000000 5.632004 7.942142\nSr La Co Ru O\n2 2 2 2 12\ndirect\n0.780557 0.755932 0.749412 Sr\n0.219443 0.755932 0.249412 Sr\n0.711244 0.237950 0.252024 La\n0.288756 0.237950 0.752024 La\n0.752747 0.000167 0.999981 Co\n0.247253 0.000167 0.499981 Co\n0.749986 0.500337 0.500115 Ru\n0.250014 0.500337 0.000115 Ru\n0.238739 0.661978 0.755081 O\n0.761261 0.661978 0.255081 O\n0.268935 0.319575 0.244858 O\n0.731065 0.319575 0.744858 O\n0.533306 0.191569 0.536375 O\n0.466694 0.191569 0.036375 O\n0.955996 0.823194 0.458637 O\n0.044004 0.823194 0.958637 O\n0.033209 0.255464 0.541481 O\n0.966791 0.255464 0.041481 O\n0.478246 0.753833 0.462037 O\n0.521754 0.753833 0.962037 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Sr",
"La",
"Co",
"Ru",
"O"
],
"chemical_system": "Co-La-O-Ru-Sr",
"density": 6.309162716369627,
"density_atomic": 0.07874133122774046,
"volume": 253.9962137819944,
"volume_molar": 7.648004759511112,
"formula_full": "Sr2 La2 Co2 Ru2 O12",
"formula_reduced": "SrLaCoRuO6",
"formula_anonymous": "ABCDE6",
"energy": -151.18255236000002,
"energy_per_atom": -7.559127618000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -139.66255236,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.7063993,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.059000Z",
"spacegroup": 7
}
]
}