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"updated_at": "2021-11-28T01:34:26.447000Z",
"spacegroup": 221
},
{
"id": "mp-1206115",
"created_at": "2022-09-04T14:46:22.007112Z",
"structure_string": "Zr3 Fe1 F6\n1.0\n-2.947889 -5.043054 -0.081487\n-4.588377 6.154474 -0.060478\n-0.242548 -0.219367 -8.098983\nZr Fe F\n3 1 6\ndirect\n0.000000 0.000000 0.500000 Zr\n0.500000 0.500000 0.000000 Zr\n0.000000 0.500000 0.000000 Zr\n0.000000 0.000000 0.000000 Fe\n0.864989 0.211038 0.999303 F\n0.135011 0.788962 0.000697 F\n0.947366 0.968541 0.747495 F\n0.052634 0.031459 0.252505 F\n0.640948 0.783690 0.036994 F\n0.359052 0.216310 0.963006 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Zr",
"Fe",
"F"
],
"chemical_system": "F-Fe-Zr",
"density": 2.204282482766848,
"density_atomic": 0.02993072678368311,
"volume": 334.1048171757577,
"volume_molar": 20.120262376264783,
"formula_full": "Zr3 Fe1 F6",
"formula_reduced": "Zr3FeF6",
"formula_anonymous": "AB3C6",
"energy": -65.11804731000001,
"energy_per_atom": -6.511804731000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -60.09004731,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.5695401,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:33.572000Z",
"spacegroup": 2
}
]
}