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"id": "mp-1212068",
"created_at": "2022-09-04T14:43:49.220298Z",
"structure_string": "Ho2 Zr2 F14\n1.0\n0.000000 -5.700595 0.000000\n-5.961916 0.000000 1.352384\n-0.077846 0.000000 -8.282684\nHo Zr F\n2 2 14\ndirect\n0.699485 0.653864 0.683342 Ho\n0.199485 0.346136 0.316658 Ho\n0.709201 0.812342 0.224032 Zr\n0.209201 0.187658 0.775968 Zr\n0.886178 0.449941 0.475479 F\n0.386178 0.550059 0.524521 F\n0.426343 0.919077 0.764252 F\n0.926343 0.080923 0.235748 F\n0.939406 0.961988 0.762238 F\n0.439406 0.038012 0.237762 F\n0.993745 0.456901 0.786305 F\n0.493745 0.543099 0.213695 F\n0.703533 0.755561 0.973297 F\n0.203533 0.244439 0.026703 F\n0.711942 0.859596 0.476118 F\n0.211942 0.140404 0.523882 F\n0.506526 0.380374 0.780417 F\n0.006526 0.619626 0.219583 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ho",
"Zr",
"F"
],
"chemical_system": "F-Ho-Zr",
"density": 4.581275699872563,
"density_atomic": 0.06380731333961923,
"volume": 282.09932463687426,
"volume_molar": 9.438010229245515,
"formula_full": "Ho2 Zr2 F14",
"formula_reduced": "HoZrF7",
"formula_anonymous": "ABC7",
"energy": -129.2186989,
"energy_per_atom": -7.178816605555555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -122.7506989,
"band_gap": 5.857200000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.5e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:17.594000Z",
"spacegroup": 4
}
]
}