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{
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"structure_string": "Ba1 Sr1 Ce1 Ti1 O6\n1.0\n0.000000 -4.214559 -4.214559\n4.214559 0.000000 -4.214559\n4.214559 -4.214559 0.000000\nBa Sr Ce Ti O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Ti\n0.735524 0.264476 0.264476 O\n0.264476 0.735524 0.735524 O\n0.735524 0.264476 0.735524 O\n0.264476 0.735524 0.264476 O\n0.735524 0.735524 0.264476 O\n0.264476 0.264476 0.735524 O\n",
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{
"id": "mp-1520259",
"created_at": "2022-09-04T14:48:01.497345Z",
"structure_string": "K1 La1 Gd1 Sb1 O6\n1.0\n-0.000000 -4.215405 -4.215405\n4.215405 -0.000000 -4.215405\n4.215405 -4.215405 -0.000000\nK La Gd Sb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 La\n0.000000 -0.000000 0.000000 Gd\n0.500000 0.500000 0.500000 Sb\n0.735857 0.264143 0.264143 O\n0.264143 0.735857 0.735857 O\n0.735857 0.264143 0.735857 O\n0.264143 0.735857 0.264143 O\n0.735857 0.735857 0.264143 O\n0.264143 0.264143 0.735857 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"La",
"Gd",
"Sb",
"O"
],
"chemical_system": "Gd-K-La-O-Sb",
"density": 6.129630576066546,
"density_atomic": 0.06675012531619291,
"volume": 149.81245282507507,
"volume_molar": 9.021916785134616,
"formula_full": "K1 La1 Gd1 Sb1 O6",
"formula_reduced": "KLaGdSbO6",
"formula_anonymous": "ABCDE6",
"energy": -82.37865332,
"energy_per_atom": -8.237865332,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -78.25665332,
"band_gap": 2.2343,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:29.438000Z",
"spacegroup": 216
}
]
}