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{
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"id": "mp-1516381",
"created_at": "2022-09-04T14:41:22.584878Z",
"structure_string": "K1 Nd1 Hf1 Sn1 O6\n1.0\n0.000000 -4.101718 -4.101718\n4.101718 0.000000 -4.101718\n4.101718 -4.101718 0.000000\nK Nd Hf Sn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Nd\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Sn\n0.749794 0.250206 0.250206 O\n0.250206 0.749794 0.749794 O\n0.749794 0.250206 0.749794 O\n0.250206 0.749794 0.250206 O\n0.749794 0.749794 0.250206 O\n0.250206 0.250206 0.749794 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Nd",
"Hf",
"Sn",
"O"
],
"chemical_system": "Hf-K-Nd-O-Sn",
"density": 6.936632142739252,
"density_atomic": 0.07245570867969407,
"volume": 138.01535009763185,
"volume_molar": 8.311478653286187,
"formula_full": "K1 Nd1 Hf1 Sn1 O6",
"formula_reduced": "KNdHfSnO6",
"formula_anonymous": "ABCDE6",
"energy": -79.25861872,
"energy_per_atom": -7.9258618720000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -75.13661872,
"band_gap": 3.3158,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.871000Z",
"spacegroup": 216
}
]
}