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"created_at": "2022-09-04T14:38:47.205937Z",
"updated_at": "2022-09-04T14:38:47.205957Z",
"structure_string": "H24 C16 O4\n1.0\n7.464379 0.000000 -1.456496\n0.000000 6.257319 0.000000\n-0.165071 0.000000 7.528081\nH C O\n24 16 4\ndirect\n0.191939 0.558525 0.066803 H\n0.602519 0.729202 0.662404 H\n0.397481 0.229202 0.337596 H\n0.181782 0.196544 0.534439 H\n0.882640 0.430404 0.529155 H\n0.117360 0.930404 0.470844 H\n0.015364 0.584473 0.409828 H\n0.984636 0.084473 0.590172 H\n0.666403 0.115692 0.646537 H\n0.333598 0.615692 0.353463 H\n0.500255 0.591137 0.907373 H\n0.499745 0.091137 0.092627 H\n0.818218 0.696544 0.465560 H\n0.108689 0.189040 0.919871 H\n0.891312 0.689040 0.080129 H\n0.808061 0.058525 0.933197 H\n-0.001259 0.281371 0.204475 H\n0.174545 0.628800 0.740746 H\n0.001259 0.781371 0.795524 H\n0.371130 0.933324 0.745595 H\n0.628871 0.433324 0.254405 H\n0.304420 0.292514 0.859441 H\n0.695581 0.792514 0.140559 H\n0.825456 0.128800 0.259253 H\n0.876145 0.550315 0.421499 C\n0.754292 0.647059 0.095057 C\n0.123855 0.050315 0.578500 C\n0.616766 0.274800 0.677657 C\n0.383234 0.774800 0.322343 C\n0.645578 0.582941 0.907985 C\n0.354423 0.082941 0.092015 C\n0.245708 0.147059 0.904943 C\n0.149992 0.767844 0.822535 C\n0.233389 0.971673 0.760844 C\n0.850009 0.267844 0.177464 C\n0.784400 0.218879 0.981079 C\n0.215600 0.718879 0.018920 C\n0.690160 0.357758 0.858681 C\n0.309840 0.857758 0.141318 C\n0.766611 0.471673 0.239156 C\n0.312265 0.237502 0.218778 O\n0.499446 0.867905 0.437239 O\n0.500554 0.367905 0.562761 O\n0.687736 0.737502 0.781221 O\n",
"nsites": 44,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.3297195575890919,
"density_atomic": 0.1256749078737107,
"volume": 350.10966583890485,
"volume_molar": 4.791840202541929,
"formula_full": "H24 C16 O4",
"formula_reduced": "H6C4O",
"formula_anonymous": "AB4C6",
"energy_above_hull": 4.597050318181819,
"spacegroup": 4
}
]
}