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"created_at": "2022-09-04T14:36:50.385757Z",
"updated_at": "2022-09-04T14:36:50.385784Z",
"structure_string": "H18 C22\n1.0\n5.264865 0.023697 1.038434\n2.128992 5.239798 0.681064\n0.167677 0.059453 11.964686\nH C\n18 22\ndirect\n0.590070 0.853537 0.590729 H\n0.176241 0.054255 0.266168 H\n0.823760 0.945745 0.733831 H\n0.221579 0.871924 0.049655 H\n0.778422 0.128077 0.950345 H\n0.742897 0.611813 0.844474 H\n0.838896 0.226543 0.123023 H\n0.161105 0.773457 0.876977 H\n0.802644 0.712728 0.018431 H\n0.257104 0.388187 0.155526 H\n0.757087 0.890737 0.235554 H\n0.242914 0.109263 0.764446 H\n0.789271 0.407547 0.341211 H\n0.210730 0.592453 0.658789 H\n0.887844 0.945576 0.418384 H\n0.112157 0.054425 0.581616 H\n0.409931 0.146463 0.409271 H\n0.197357 0.287273 0.981569 H\n0.328761 0.319615 0.903203 C\n0.671240 0.680386 0.096796 C\n0.308338 0.589418 0.845110 C\n0.691663 0.410583 0.154889 C\n0.348874 0.769311 0.114422 C\n0.369763 0.500005 0.172125 C\n0.651127 0.230690 0.885578 C\n0.645894 0.779339 0.217144 C\n0.630238 0.499995 0.827874 C\n0.354107 0.220661 0.782856 C\n0.170146 0.553008 0.400543 C\n0.333295 0.490140 0.725089 C\n0.342527 0.601712 0.293915 C\n0.657474 0.398289 0.706085 C\n0.937448 0.749377 0.453672 C\n0.062552 0.250623 0.546328 C\n0.230632 0.302788 0.449175 C\n0.769369 0.697212 0.550825 C\n0.676848 0.130030 0.765539 C\n0.829855 0.446993 0.599456 C\n0.666706 0.509860 0.274911 C\n0.323153 0.869970 0.234461 C\n",
"nsites": 40,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 1.4275164956047368,
"density_atomic": 0.12177571247997343,
"volume": 328.47272403828623,
"volume_molar": 4.945272449947989,
"formula_full": "H18 C22",
"formula_reduced": "H9C11",
"formula_anonymous": "A9B11",
"energy_above_hull": 5.672824,
"spacegroup": 2
}
]
}