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"created_at": "2022-09-04T14:36:59.831513Z",
"updated_at": "2022-09-04T14:36:59.831533Z",
"structure_string": "H3 C5 S1 N1 O2\n1.0\n5.410366 0.179699 0.582799\n1.381353 4.996175 1.260794\n-0.006942 0.173481 5.391110\nH C S N O\n3 5 1 1 2\ndirect\n0.001996 0.947374 0.195017 H\n0.012639 0.954589 0.742103 H\n0.294677 0.191212 0.383360 H\n0.961656 0.170673 0.647613 C\n0.110485 0.289714 0.466176 C\n0.005900 0.585544 0.381837 C\n0.735825 0.361676 0.722625 C\n0.555676 0.287026 0.940142 C\n0.691421 0.688669 0.557943 S\n0.113293 0.745099 0.226288 N\n0.661369 0.202976 0.157582 O\n0.329436 0.314296 0.886719 O\n",
"nsites": 12,
"nelements": 5,
"elements": [
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-H-N-O-S",
"density": 1.6348637584709855,
"density_atomic": 0.08370271405116086,
"volume": 143.3645268977222,
"volume_molar": 7.194678008074076,
"formula_full": "H3 C5 S1 N1 O2",
"formula_reduced": "H3C5SNO2",
"formula_anonymous": "ABC2D3E5",
"energy_above_hull": 5.049985020833333,
"spacegroup": 1
}
]
}