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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": "Tm2 Ni8 As4\n1.0\n7.197858 0.000000 0.000000\n0.000000 7.197858 0.000000\n0.000000 0.000000 3.773645\nTm Ni As\n2 8 4\ndirect\n0.500000 0.500000 0.000000 Tm\n0.000000 0.000000 0.500000 Tm\n0.589308 0.154039 0.500000 Ni\n0.410692 0.845961 0.500000 Ni\n0.089308 0.345961 0.000000 Ni\n0.910692 0.654039 0.000000 Ni\n0.154039 0.589308 0.500000 Ni\n0.845961 0.410692 0.500000 Ni\n0.345961 0.089308 0.000000 Ni\n0.654039 0.910692 0.000000 Ni\n0.716969 0.716969 0.500000 As\n0.283031 0.283031 0.500000 As\n0.216969 0.783031 0.000000 As\n0.783031 0.216969 0.000000 As\n",
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{
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"Se"
],
"chemical_system": "Fe-Mo-Se",
"density": 6.883273302407025,
"density_atomic": 0.049224021482906145,
"volume": 304.7292672990767,
"volume_molar": 12.234150275778031,
"formula_full": "Fe1 Mo6 Se8",
"formula_reduced": "Fe(Mo3Se4)2",
"formula_anonymous": "AB6C8",
"energy": -111.20178535,
"energy_per_atom": -7.413452356666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -107.42578535,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.6665323,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.347000Z",
"spacegroup": 148
}
]
}