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"structure_string": "U30\n1.0\n10.433955 0.000000 0.000000\n0.000000 10.433955 0.000000\n0.000000 0.000000 5.653269\nU\n30\ndirect\n0.500000 0.500000 0.500000 U\n0.000000 0.000000 0.000000 U\n0.889046 0.110954 0.500000 U\n0.110954 0.889046 0.500000 U\n0.389046 0.389046 0.000000 U\n0.610954 0.610954 0.000000 U\n0.952900 0.361970 0.500000 U\n0.047100 0.638030 0.500000 U\n0.452900 0.138030 0.000000 U\n0.547100 0.861970 0.000000 U\n0.361970 0.952900 0.500000 U\n0.638030 0.047100 0.500000 U\n0.138030 0.452900 0.000000 U\n0.861970 0.547100 0.000000 U\n0.234212 0.443962 0.500000 U\n0.765788 0.556038 0.500000 U\n0.734212 0.056038 0.000000 U\n0.265788 0.943962 0.000000 U\n0.443962 0.234212 0.500000 U\n0.556038 0.765788 0.500000 U\n0.056038 0.734212 0.000000 U\n0.943962 0.265788 0.000000 U\n0.679723 0.320277 0.225695 U\n0.320277 0.679723 0.225695 U\n0.179723 0.179723 0.725695 U\n0.820277 0.820277 0.725695 U\n0.320277 0.679723 0.774305 U\n0.679723 0.320277 0.774305 U\n0.820277 0.820277 0.274305 U\n0.179723 0.179723 0.274305 U\n",
"nsites": 30,
"nelements": 1,
"elements": [
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],
"chemical_system": "U",
"density": 19.266485072517842,
"density_atomic": 0.04874428282566062,
"volume": 615.4567933084246,
"volume_molar": 12.354558136671862,
"formula_full": "U30",
"formula_reduced": "U",
"formula_anonymous": "A",
"energy": -335.68289859,
"energy_per_atom": -11.189429953,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -335.68289859,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.4516511,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:26.536000Z",
"spacegroup": 136
}
]
}