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"structure_string": "U16\n1.0\n0.000000 -5.026972 -5.404560\n0.000000 -5.026972 5.404560\n-16.320594 0.000000 0.000000\nU\n16\ndirect\n0.631180 0.368820 0.750000 U\n0.868820 0.131180 0.250000 U\n0.368820 0.631180 0.250000 U\n0.131180 0.868820 0.750000 U\n0.881400 0.118600 0.750000 U\n0.618600 0.381400 0.250000 U\n0.118600 0.881400 0.250000 U\n0.381400 0.618600 0.750000 U\n0.005050 0.494950 0.764628 U\n0.505050 0.994950 0.735372 U\n0.494950 0.005050 0.264628 U\n0.994950 0.505050 0.235372 U\n0.756727 0.743273 0.738059 U\n0.256727 0.243273 0.761941 U\n0.743273 0.756727 0.238059 U\n0.243273 0.256727 0.261941 U\n",
"nsites": 16,
"nelements": 1,
"elements": [
"U"
],
"chemical_system": "U",
"density": 7.131255919832763,
"density_atomic": 0.01804210545670994,
"volume": 886.814459564614,
"volume_molar": 33.37825939688396,
"formula_full": "U16",
"formula_reduced": "U",
"formula_anonymous": "A",
"energy": -154.020113,
"energy_per_atom": -9.6262570625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -154.020113,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.3871001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.540000Z",
"spacegroup": 64
}
]
}