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"created_at": "2022-09-04T14:38:46.660505Z",
"updated_at": "2022-09-04T14:38:46.660533Z",
"structure_string": "H20 C14 O10\n1.0\n5.077646 0.000000 -0.324795\n0.000000 7.692900 0.000000\n-0.004335 0.000000 9.600215\nH C O\n20 14 10\ndirect\n0.580382 0.066294 0.264059 H\n0.880453 0.833504 0.309586 H\n0.119547 0.333504 0.690413 H\n0.683728 0.144773 0.774062 H\n0.316272 0.644773 0.225937 H\n0.928072 0.094749 0.909404 H\n0.071928 0.594749 0.090595 H\n0.031527 0.521029 0.265080 H\n0.390139 0.764976 0.967185 H\n0.609861 0.264976 0.032814 H\n0.968473 0.021029 0.734919 H\n0.379735 0.408001 0.941539 H\n0.360629 -0.007148 0.942507 H\n0.639370 0.492852 0.057492 H\n0.408576 0.615144 0.485384 H\n0.591424 0.115144 0.514615 H\n0.663785 0.463551 0.529959 H\n0.336214 0.963551 0.470040 H\n0.419618 0.566294 0.735940 H\n0.620265 0.908001 0.058460 H\n0.320040 0.380222 0.159855 C\n0.825728 0.046123 0.813218 C\n0.174272 0.546123 0.186781 C\n0.501725 0.886147 0.960490 C\n0.498275 0.386147 0.039509 C\n0.679960 0.880222 0.840144 C\n0.805579 0.712265 0.478972 C\n0.829531 0.605410 0.786712 C\n0.601166 0.599629 0.541342 C\n0.398833 0.099629 0.458657 C\n0.581715 0.642238 0.694858 C\n0.418285 0.142238 0.305141 C\n0.170469 0.105410 0.213287 C\n0.194420 0.212265 0.521027 C\n0.458950 0.325187 0.286941 O\n0.120191 0.240670 0.128340 O\n0.879809 0.740670 0.871659 O\n0.037636 0.972172 0.205611 O\n0.962364 0.472172 0.794388 O\n-0.015693 0.252301 0.459139 O\n0.015692 0.752301 0.540860 O\n0.264015 0.262764 0.652348 O\n0.735985 0.762764 0.347651 O\n0.541050 0.825187 0.713058 O\n",
"nsites": 44,
"nelements": 3,
"elements": [
"H",
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],
"chemical_system": "C-H-O",
"density": 1.5423569401042825,
"density_atomic": 0.11733612851065463,
"volume": 374.99106676256673,
"volume_molar": 5.132384063151668,
"formula_full": "H20 C14 O10",
"formula_reduced": "H10C7O5",
"formula_anonymous": "A5B7C10",
"energy_above_hull": 4.596890795454546,
"spacegroup": 4
}
]
}