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{
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{
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{
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{
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{
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{
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"structure_string": "Li4 Mn2 Sn2 O8\n1.0\n3.016693 -3.197976 -4.404655\n0.253334 6.274679 -0.006624\n3.008424 -3.205760 4.404657\nLi Mn Sn O\n4 2 2 8\ndirect\n0.499999 0.999999 0.999998 Li\n0.500000 0.500000 0.499999 Li\n0.999999 0.499999 0.499998 Li\n0.499999 0.999999 0.499998 Li\n0.000005 0.000006 0.500010 Mn\n0.999993 0.499998 0.000016 Mn\n0.500002 0.499997 0.999996 Sn\n0.000004 0.000002 0.000000 Sn\n0.230775 0.992726 0.232200 O\n0.739477 0.507273 0.238047 O\n0.260524 0.492728 0.761952 O\n0.769223 0.007273 0.767794 O\n0.742343 0.979458 0.230827 O\n0.751370 0.520541 0.762884 O\n0.248631 0.479460 0.237113 O\n0.257654 0.020540 0.769167 O\n",
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"id": "mp-1519183",
"created_at": "2022-09-04T14:42:22.953125Z",
"structure_string": "K1 Sr1 Ce1 Nb1 O6\n1.0\n0.000000 -4.253130 -4.253130\n4.253130 0.000000 -4.253130\n4.253130 -4.253130 0.000000\nK Sr Ce Nb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Nb\n0.737191 0.262809 0.262809 O\n0.262809 0.737191 0.737191 O\n0.737191 0.262809 0.737191 O\n0.262809 0.737191 0.262809 O\n0.737191 0.737191 0.262809 O\n0.262809 0.262809 0.737191 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Sr",
"Ce",
"Nb",
"O"
],
"chemical_system": "Ce-K-Nb-O-Sr",
"density": 4.91821482837041,
"density_atomic": 0.06498962514658949,
"volume": 153.87071363227855,
"volume_molar": 9.266310963352325,
"formula_full": "K1 Sr1 Ce1 Nb1 O6",
"formula_reduced": "KSrCeNbO6",
"formula_anonymous": "ABCDE6",
"energy": -80.54488075,
"energy_per_atom": -8.054488075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.42288075,
"band_gap": 2.0628,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:45.764000Z",
"spacegroup": 216
}
]
}