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"energy_uncorrected": -91.51037337,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.481245,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:36.657000Z",
"spacegroup": 216
},
{
"id": "mp-1521441",
"created_at": "2022-09-04T14:47:58.371749Z",
"structure_string": "Sr1 La1 Cr1 Sn1 O6\n1.0\n0.000000 -4.021421 -4.021421\n4.021421 0.000000 -4.021421\n4.021421 -4.021421 0.000000\nSr La Cr Sn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 La\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Sn\n0.753333 0.246667 0.246667 O\n0.246667 0.753333 0.753333 O\n0.753333 0.246667 0.753333 O\n0.246667 0.753333 0.246667 O\n0.753333 0.753333 0.246667 O\n0.246667 0.246667 0.753333 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"La",
"Cr",
"Sn",
"O"
],
"chemical_system": "Cr-La-O-Sn-Sr",
"density": 6.2969199730913195,
"density_atomic": 0.0768831873940888,
"volume": 130.06744828023162,
"volume_molar": 7.832844818375747,
"formula_full": "Sr1 La1 Cr1 Sn1 O6",
"formula_reduced": "SrLaCrSnO6",
"formula_anonymous": "ABCDE6",
"energy": -78.04246230999999,
"energy_per_atom": -7.804246230999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -71.92146231,
"band_gap": 2.0276,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 3.0000005,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:24.195000Z",
"spacegroup": 216
}
]
}