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{
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{
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{
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"id": "mp-1001615",
"created_at": "2022-09-04T14:48:25.555580Z",
"structure_string": "Li1 Zr1 Se2\n1.0\n1.870486 -3.239777 0.000000\n1.870486 3.239777 0.000000\n0.000000 0.000000 6.701612\nLi Zr Se\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Zr\n0.666667 0.333333 0.746152 Se\n0.333333 0.666667 0.253848 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Zr",
"Se"
],
"chemical_system": "Li-Se-Zr",
"density": 5.2354544146243445,
"density_atomic": 0.049247153778357707,
"volume": 81.22296809278451,
"volume_molar": 12.228403669993426,
"formula_full": "Li1 Zr1 Se2",
"formula_reduced": "LiZrSe2",
"formula_anonymous": "ABC2",
"energy": -23.81882632,
"energy_per_atom": -5.95470658,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.87482632,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0292529,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:15.327000Z",
"spacegroup": 164
}
]
}