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"id": "mp-1191025",
"created_at": "2022-09-04T14:44:56.511263Z",
"structure_string": "Zr6 Mn4 Ga12\n1.0\n5.403158 0.000000 0.000000\n0.000000 7.718343 0.000000\n0.000000 0.000000 8.754732\nZr Mn Ga\n6 4 12\ndirect\n0.500000 0.152937 0.780694 Zr\n0.500000 0.152937 0.219306 Zr\n0.000000 0.847063 0.719306 Zr\n0.000000 0.847063 0.280694 Zr\n0.500000 0.719900 0.500000 Zr\n0.000000 0.280100 0.000000 Zr\n0.250000 0.500000 0.250000 Mn\n0.250000 0.500000 0.750000 Mn\n0.750000 0.500000 0.250000 Mn\n0.750000 0.500000 0.750000 Mn\n0.500000 0.763928 0.186942 Ga\n0.500000 0.763928 0.813058 Ga\n0.000000 0.236072 0.313058 Ga\n0.000000 0.236072 0.686942 Ga\n0.500000 0.367491 0.500000 Ga\n0.000000 0.632509 0.000000 Ga\n0.000000 0.563910 0.500000 Ga\n0.500000 0.436090 0.000000 Ga\n0.260321 0.043509 0.500000 Ga\n0.739679 0.043509 0.500000 Ga\n0.239679 0.956491 0.000000 Ga\n0.760321 0.956491 0.000000 Ga\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Zr",
"Mn",
"Ga"
],
"chemical_system": "Ga-Mn-Zr",
"density": 7.294191738226278,
"density_atomic": 0.060257080070473125,
"volume": 365.1023244782206,
"volume_molar": 9.994079953686537,
"formula_full": "Zr6 Mn4 Ga12",
"formula_reduced": "Zr3(MnGa3)2",
"formula_anonymous": "A2B3C6",
"energy": -134.57811043,
"energy_per_atom": -6.117186837727274,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -134.57811043,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.5845929,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:47.084000Z",
"spacegroup": 59
}
]
}