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"id": "mp-1193525",
"created_at": "2022-09-04T14:39:13.882621Z",
"structure_string": "U4 Br4 O20\n1.0\n9.361398 0.000000 0.000000\n0.000000 6.174728 0.000000\n-2.489830 0.000000 10.517476\nU Br O\n4 4 20\ndirect\n0.155855 0.871730 0.580986 U\n0.844145 0.371730 0.919014 U\n0.844145 0.128270 0.419014 U\n0.155855 0.628270 0.080986 U\n0.322871 0.095553 0.908950 Br\n0.677129 0.595553 0.591050 Br\n0.677129 0.904447 0.091050 Br\n0.322871 0.404447 0.408950 Br\n0.020119 0.145032 0.582661 O\n0.979881 0.645032 0.917339 O\n0.979881 0.854968 0.417339 O\n0.020119 0.354968 0.082661 O\n0.276990 0.028242 0.500877 O\n0.723010 0.528242 0.999123 O\n0.723010 0.971758 0.499123 O\n0.276990 0.471758 0.000877 O\n0.266690 0.551481 0.524963 O\n0.733310 0.051481 0.975037 O\n0.733310 0.448519 0.475037 O\n0.266690 0.948519 0.024963 O\n0.057912 0.708906 0.674447 O\n0.942088 0.208906 0.825553 O\n0.942088 0.291094 0.325553 O\n0.057912 0.791094 0.174447 O\n0.337183 0.938490 0.779965 O\n0.662817 0.438490 0.720035 O\n0.662817 0.061510 0.220035 O\n0.337183 0.561510 0.279965 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"U",
"Br",
"O"
],
"chemical_system": "Br-O-U",
"density": 4.34756017350834,
"density_atomic": 0.046056184958651485,
"volume": 607.9530908853601,
"volume_molar": 13.075639602816828,
"formula_full": "U4 Br4 O20",
"formula_reduced": "UBrO5",
"formula_anonymous": "ABC5",
"energy": -205.99222173,
"energy_per_atom": -7.356865061785714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -192.25222173,
"band_gap": 0.0279,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0326603,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:23.880000Z",
"spacegroup": 14
}
]
}