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{
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{
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"nsites": 60,
"nelements": 5,
"elements": [
"K",
"Nd",
"H",
"S",
"O"
],
"chemical_system": "H-K-Nd-O-S",
"density": 3.1730737130155693,
"density_atomic": 0.07284484091537773,
"volume": 823.6684883381199,
"volume_molar": 8.267079293914295,
"formula_full": "K4 Nd4 H8 S8 O36",
"formula_reduced": "KNdH2S2O9",
"formula_anonymous": "ABC2D2E9",
"energy": -399.01339694,
"energy_per_atom": -6.650223282333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -374.28139694,
"band_gap": 5.3773,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0020314,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:48.904000Z",
"spacegroup": 14
}
]
}