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},
{
"id": "mp-1100811",
"created_at": "2022-09-04T14:39:10.679229Z",
"structure_string": "Zr4 Cr4 F6\n1.0\n4.805738 -0.340719 3.052790\n3.121093 6.040957 4.552230\n2.054781 -0.449507 9.236037\nZr Cr F\n4 4 6\ndirect\n0.564476 0.389267 0.110733 Zr\n0.390391 0.670104 0.342387 Zr\n0.415374 0.157613 0.829896 Zr\n0.578944 0.851124 0.648876 Zr\n0.931796 0.930278 0.043073 Cr\n0.121906 0.513923 0.986077 Cr\n0.014681 0.150259 0.349741 Cr\n0.878497 0.456927 0.569722 Cr\n0.496655 0.097633 0.402367 F\n0.234059 0.379226 0.626887 F\n0.246285 0.873113 0.120774 F\n0.864094 0.969569 0.840720 F\n0.484673 0.659280 0.530431 F\n0.778168 0.657683 0.842317 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Zr",
"Cr",
"F"
],
"chemical_system": "Cr-F-Zr",
"density": 4.704850174668051,
"density_atomic": 0.05774969166559426,
"volume": 242.4255367642219,
"volume_molar": 10.428005044376423,
"formula_full": "Zr4 Cr4 F6",
"formula_reduced": "Zr2Cr2F3",
"formula_anonymous": "A2B2C3",
"energy": -102.58110643,
"energy_per_atom": -7.327221887857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -91.81310643,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.0702024,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.658000Z",
"spacegroup": 8
}
]
}