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{
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"created_at": "2022-09-04T14:43:09.148915Z",
"structure_string": "Sr2 La2 Mn2 Ru2 O12\n1.0\n4.895595 -0.017721 2.733275\n-3.385351 4.709247 5.712390\n-1.627309 -4.648364 2.873735\nSr La Mn Ru O\n2 2 2 2 12\ndirect\n0.491733 0.244511 0.001161 Sr\n0.991743 0.744506 0.501144 Sr\n0.492278 0.743784 0.001208 La\n0.992284 0.243787 0.501188 La\n0.495882 0.995365 0.500258 Mn\n0.995915 0.495353 0.000103 Mn\n0.497938 0.497897 0.500560 Ru\n0.997917 0.997860 0.000563 Ru\n0.706335 0.546919 0.777831 O\n0.206340 0.046927 0.277840 O\n0.790224 0.462600 0.307276 O\n0.290195 0.962601 0.807317 O\n0.004861 0.241220 0.916471 O\n0.504861 0.741207 0.416463 O\n0.994782 0.760170 0.063756 O\n0.494804 0.260227 0.563732 O\n0.228761 0.536025 0.711328 O\n0.728739 0.036032 0.211360 O\n0.297191 0.471499 0.220205 O\n0.797220 0.971505 0.720238 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Sr",
"La",
"Mn",
"Ru",
"O"
],
"chemical_system": "La-Mn-O-Ru-Sr",
"density": 6.107814788364617,
"density_atomic": 0.07686482966117687,
"volume": 260.1970249353413,
"volume_molar": 7.834715547469275,
"formula_full": "Sr2 La2 Mn2 Ru2 O12",
"formula_reduced": "SrLaMnRuO6",
"formula_anonymous": "ABCDE6",
"energy": -161.46743101,
"energy_per_atom": -8.073371550500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -149.88743101,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0001035,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:05.554000Z",
"spacegroup": 1
},
{
"id": "mp-1519573",
"created_at": "2022-09-04T14:43:05.300532Z",
"structure_string": "Na4 Eu4 Sn4 Sb4 O24\n1.0\n8.825145 0.000000 0.000000\n0.000000 8.959906 0.000000\n0.000000 0.000000 8.735650\nNa Eu Sn Sb O\n4 4 4 4 24\ndirect\n0.000000 0.500000 0.500000 Na\n0.500000 0.500000 -0.000000 Na\n0.500000 -0.000000 -0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.500000 0.000000 0.500000 Eu\n-0.000000 0.500000 -0.000000 Eu\n-0.000000 -0.000000 -0.000000 Eu\n0.500000 0.500000 0.500000 Eu\n0.250000 0.250000 0.250000 Sn\n0.750000 0.750000 0.250000 Sn\n0.750000 0.250000 0.750000 Sn\n0.250000 0.750000 0.750000 Sn\n0.750000 0.750000 0.750000 Sb\n0.250000 0.250000 0.750000 Sb\n0.250000 0.750000 0.250000 Sb\n0.750000 0.250000 0.250000 Sb\n0.001873 0.212691 0.253583 O\n-0.001873 0.787309 0.253583 O\n-0.001873 0.212691 0.746417 O\n0.001873 0.787309 0.746417 O\n0.281617 0.002146 0.215790 O\n0.281617 -0.002146 0.784210 O\n0.718383 -0.002146 0.215790 O\n0.718383 0.002146 0.784210 O\n0.190247 0.277073 0.003228 O\n0.809753 0.277073 -0.003228 O\n0.190247 0.722927 -0.003228 O\n0.809753 0.722927 0.003228 O\n0.498127 0.287309 0.246417 O\n0.501873 0.712691 0.246417 O\n0.501873 0.287309 0.753583 O\n0.498127 0.712691 0.753583 O\n0.218383 0.497854 0.284210 O\n0.218383 0.502146 0.715790 O\n0.781617 0.502146 0.284210 O\n0.781617 0.497854 0.715790 O\n0.309753 0.222927 0.496772 O\n0.690247 0.222927 0.503228 O\n0.309753 0.777073 0.503228 O\n0.690247 0.777073 0.496772 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Na",
"Eu",
"Sn",
"Sb",
"O"
],
"chemical_system": "Eu-Na-O-Sb-Sn",
"density": 4.917749601875369,
"density_atomic": 0.057908119612990076,
"volume": 690.7494193789555,
"volume_molar": 10.399475583470853,
"formula_full": "Na4 Eu4 Sn4 Sb4 O24",
"formula_reduced": "NaEuSnSbO6",
"formula_anonymous": "ABCDE6",
"energy": -275.28921691,
"energy_per_atom": -6.88223042275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -258.80121691,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9285605,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:13.052000Z",
"spacegroup": 48
}
]
}