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"structure_string": "Fe2\n1.0\n1.232878 -2.135407 0.000000\n1.232878 2.135407 0.000000\n0.000000 0.000000 3.900192\nFe\n2\ndirect\n0.333333 0.666667 0.250000 Fe\n0.666667 0.333333 0.750000 Fe\n",
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"nelements": 1,
"elements": [
"Fe"
],
"chemical_system": "Fe",
"density": 9.03122455085898,
"density_atomic": 0.09738974930474643,
"volume": 20.536042183882355,
"volume_molar": 6.183546834231867,
"formula_full": "Fe2",
"formula_reduced": "Fe",
"formula_anonymous": "A",
"energy": -16.74443058,
"energy_per_atom": -8.37221529,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.74443058,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0173598,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:37.613000Z",
"spacegroup": 194
}
]
}