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"created_at": "2022-09-04T14:37:36.789695Z",
"updated_at": "2022-09-04T14:37:36.789720Z",
"structure_string": "As12 H4 O24\n1.0\n11.021712 0.000000 -6.254784\n0.000000 4.620454 0.000000\n-0.220549 0.000000 11.251620\nAs H O\n12 4 24\ndirect\n0.953902 0.213867 0.633035 As\n0.046098 0.713867 0.866965 As\n0.046098 0.786132 0.366965 As\n0.953902 0.286133 0.133035 As\n0.443189 0.537334 0.634445 As\n0.556811 0.037335 0.865555 As\n0.556811 0.462665 0.365555 As\n0.443189 0.962664 0.134445 As\n0.240703 0.360049 0.721105 As\n0.759297 0.860048 0.778895 As\n0.759297 0.639951 0.278895 As\n0.240703 0.139951 0.221105 As\n0.275118 0.674675 0.319283 H\n0.724882 0.174675 0.180717 H\n0.724882 0.325324 0.680717 H\n0.275118 0.825324 0.819283 H\n0.664222 0.593592 0.678499 O\n0.335778 0.093592 0.821501 O\n0.233140 0.868389 0.323982 O\n0.766860 0.368389 0.176019 O\n0.766860 0.131610 0.676019 O\n0.233140 0.631610 0.823982 O\n0.486986 0.336203 0.185410 O\n0.513014 0.836203 0.314590 O\n0.513014 0.663796 0.814590 O\n0.486986 0.163796 0.685410 O\n0.282080 0.987828 0.109244 O\n0.045026 0.417316 0.311547 O\n0.717920 0.012171 0.890756 O\n0.282080 0.512170 0.609244 O\n0.091950 0.259672 0.108725 O\n0.908050 0.759671 0.391275 O\n0.908050 0.740327 0.891275 O\n0.091950 0.240328 0.608725 O\n0.664222 0.906407 0.178500 O\n0.954974 0.917316 0.188453 O\n0.954974 0.582683 0.688453 O\n0.045026 0.082683 0.811547 O\n0.717920 0.487829 0.390756 O\n0.335778 0.406407 0.321501 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"As",
"H",
"O"
],
"chemical_system": "As-H-O",
"density": 3.7719227487733353,
"density_atomic": 0.07059424572788112,
"volume": 566.6184203481339,
"volume_molar": 8.530639711363277,
"formula_full": "As12 H4 O24",
"formula_reduced": "As3HO6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 2.754091625,
"spacegroup": 14
}
]
}