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"id": "mp-1208188",
"created_at": "2022-09-04T14:46:03.745113Z",
"structure_string": "U4 Co2 Si4 H28 O36\n1.0\n7.081759 0.000000 0.000000\n-3.540879 8.870500 0.000000\n0.000000 0.000000 12.833814\nU Co Si H O\n4 2 4 28 36\ndirect\n0.291904 0.583808 0.180375 U\n0.708096 0.416192 0.819625 U\n0.208096 0.416192 0.680375 U\n0.791904 0.583808 0.319625 U\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.299016 0.598031 0.429853 Si\n0.700984 0.401969 0.570147 Si\n0.200984 0.401969 0.929853 Si\n0.799016 0.598031 0.070147 Si\n0.137689 0.275378 0.079697 H\n0.862311 0.724622 0.920303 H\n0.362311 0.724622 0.579697 H\n0.637689 0.275378 0.420303 H\n0.119079 0.238158 0.322103 H\n0.880921 0.761842 0.677897 H\n0.380921 0.761842 0.822103 H\n0.619079 0.238158 0.177897 H\n0.693942 0.900903 0.139726 H\n0.306058 0.099097 0.860274 H\n0.806058 0.099097 0.639726 H\n0.706961 0.900903 0.360274 H\n0.193942 0.900903 0.360274 H\n0.293039 0.099097 0.639726 H\n0.793039 0.099097 0.860274 H\n0.206961 0.900903 0.139726 H\n0.138744 0.277488 0.441125 H\n0.861256 0.722512 0.558875 H\n0.361256 0.722512 0.941125 H\n0.638744 0.277488 0.058875 H\n0.349378 0.065509 0.107648 H\n0.650622 0.934491 0.892352 H\n0.150622 0.934491 0.607648 H\n0.216131 0.065509 0.392352 H\n0.849378 0.065509 0.392352 H\n0.783869 0.934491 0.607648 H\n0.283869 0.934491 0.892352 H\n0.716131 0.065509 0.107648 H\n0.123694 0.247388 0.004678 O\n0.876306 0.752612 0.995322 O\n0.376306 0.752612 0.504678 O\n0.623694 0.247388 0.495322 O\n0.203286 0.996468 0.114622 O\n0.796714 0.003532 0.885378 O\n0.296714 0.003532 0.614622 O\n0.293182 0.996468 0.385378 O\n0.703286 0.996468 0.385378 O\n0.706818 0.003532 0.614622 O\n0.206818 0.003532 0.885378 O\n0.793182 0.996468 0.114622 O\n0.624544 0.600852 0.153631 O\n0.375456 0.399148 0.846369 O\n0.875456 0.399148 0.653631 O\n0.476308 0.600852 0.346369 O\n0.124544 0.600852 0.346369 O\n0.523692 0.399148 0.653631 O\n0.023692 0.399148 0.846369 O\n0.976308 0.600852 0.153631 O\n0.274068 0.548136 0.007002 O\n0.725932 0.451864 0.992998 O\n0.225932 0.451864 0.507002 O\n0.774068 0.548136 0.492998 O\n0.394920 0.789841 0.165555 O\n0.605080 0.210159 0.834445 O\n0.105080 0.210159 0.665555 O\n0.894920 0.789841 0.334445 O\n0.187615 0.375230 0.197009 O\n0.812385 0.624770 0.802991 O\n0.312385 0.624770 0.697009 O\n0.687615 0.375230 0.302991 O\n0.095280 0.190561 0.391360 O\n0.904720 0.809439 0.608640 O\n0.404720 0.809439 0.891360 O\n0.595280 0.190561 0.108640 O\n",
"nsites": 74,
"nelements": 5,
"elements": [
"U",
"Co",
"Si",
"H",
"O"
],
"chemical_system": "Co-H-O-Si-U",
"density": 3.6797062501859283,
"density_atomic": 0.09178817512200559,
"volume": 806.204066064486,
"volume_molar": 6.560911306925235,
"formula_full": "U4 Co2 Si4 H28 O36",
"formula_reduced": "U2CoSi2(H7O9)2",
"formula_anonymous": "AB2C2D14E18",
"energy": -507.15202639,
"energy_per_atom": -6.853405762027027,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -479.14402639,
"band_gap": 1.6392,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 2.0007047,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:19.580000Z",
"spacegroup": 64
}
]
}