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"id": "mp-1201558",
"created_at": "2022-09-04T14:45:16.641369Z",
"structure_string": "Zr12 Fe12 Ge24\n1.0\n7.988781 0.000000 0.000000\n0.000000 9.232689 0.000000\n0.000000 0.000000 10.240362\nZr Fe Ge\n12 12 24\ndirect\n0.746457 0.826909 0.048968 Zr\n0.746457 0.173091 0.951032 Zr\n0.253543 0.673091 0.548968 Zr\n0.253543 0.326909 0.451032 Zr\n0.253543 0.173091 0.951032 Zr\n0.253543 0.826909 0.048968 Zr\n0.746457 0.326909 0.451032 Zr\n0.746457 0.673091 0.548968 Zr\n0.500000 0.835758 0.322255 Zr\n0.500000 0.164242 0.677745 Zr\n0.500000 0.664242 0.822255 Zr\n0.500000 0.335758 0.177745 Zr\n0.749252 0.592098 0.252097 Fe\n0.749252 0.407902 0.747903 Fe\n0.250748 0.907902 0.752097 Fe\n0.250748 0.092098 0.247903 Fe\n0.250748 0.407902 0.747903 Fe\n0.250748 0.592098 0.252097 Fe\n0.749252 0.092098 0.247903 Fe\n0.749252 0.907902 0.752097 Fe\n0.746275 0.000000 0.500000 Fe\n0.253725 0.500000 0.000000 Fe\n0.253725 0.000000 0.500000 Fe\n0.746275 0.500000 0.000000 Fe\n0.843718 0.842859 0.319431 Ge\n0.843718 0.157141 0.680569 Ge\n0.156282 0.657141 0.819431 Ge\n0.156282 0.342859 0.180569 Ge\n0.156282 0.157141 0.680569 Ge\n0.156282 0.842859 0.319431 Ge\n0.843718 0.342859 0.180569 Ge\n0.843718 0.657141 0.819431 Ge\n0.500000 0.540016 0.379053 Ge\n0.500000 0.459984 0.620947 Ge\n0.500000 0.959984 0.879053 Ge\n0.500000 0.040016 0.120947 Ge\n0.000000 0.552685 0.379402 Ge\n0.000000 0.447315 0.620598 Ge\n0.000000 0.947315 0.879402 Ge\n0.000000 0.052685 0.120598 Ge\n0.500000 0.628788 0.102994 Ge\n0.500000 0.371212 0.897006 Ge\n0.500000 0.871212 0.602994 Ge\n0.500000 0.128788 0.397006 Ge\n0.000000 0.622784 0.101406 Ge\n0.000000 0.377216 0.898594 Ge\n0.000000 0.877216 0.601406 Ge\n0.000000 0.122784 0.398594 Ge\n",
"nsites": 48,
"nelements": 3,
"elements": [
"Zr",
"Fe",
"Ge"
],
"chemical_system": "Fe-Ge-Zr",
"density": 7.712726376805956,
"density_atomic": 0.06355024152713558,
"volume": 755.3079083028234,
"volume_molar": 9.476188626959948,
"formula_full": "Zr12 Fe12 Ge24",
"formula_reduced": "ZrFeGe2",
"formula_anonymous": "ABC2",
"energy": -339.60458998,
"energy_per_atom": -7.075095624583334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -339.60458998,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.0355436,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:57.403000Z",
"spacegroup": 55
}
]
}