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"created_at": "2022-09-04T14:38:41.607554Z",
"updated_at": "2022-09-04T14:38:41.607584Z",
"structure_string": "H10 C12 S2 N2 O2\n1.0\n3.900341 0.009693 -0.805156\n-1.060863 7.612435 -2.720235\n-0.146508 -0.031679 9.559693\nH C S N O\n10 12 2 2 2\ndirect\n0.579257 0.809193 0.910429 H\n0.079253 0.309193 0.410428 H\n0.269919 0.304896 0.857548 H\n0.769919 0.804898 0.357548 H\n0.323646 0.089384 0.012901 H\n0.823649 0.589385 0.512901 H\n0.354692 0.624553 0.748944 H\n0.854690 0.124552 0.248943 H\n0.797441 0.466843 0.783217 H\n0.297443 0.966844 0.283218 H\n0.509054 0.140430 0.504031 C\n0.009059 0.640430 0.004031 C\n0.107601 0.208071 0.305427 C\n0.607604 0.708071 0.805427 C\n0.635920 -0.003517 0.551354 C\n0.135923 0.496483 0.051354 C\n0.730887 0.837908 0.472535 C\n0.189491 0.293844 0.197518 C\n0.230887 0.337907 0.972534 C\n0.763337 0.722845 0.556574 C\n0.263336 0.222844 0.056574 C\n0.689492 0.793844 0.697519 C\n0.096424 0.504498 0.229633 S\n0.596422 0.004497 0.729632 S\n0.848123 0.596842 0.853139 N\n0.348120 0.096842 0.353140 N\n0.025191 0.791571 0.100679 O\n0.525181 0.291570 0.600679 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-H-N-O-S",
"density": 1.6351107145697654,
"density_atomic": 0.0990523703151906,
"volume": 282.6787477261,
"volume_molar": 6.079754316668231,
"formula_full": "H10 C12 S2 N2 O2",
"formula_reduced": "H5C6SNO",
"formula_anonymous": "ABCD5E6",
"energy_above_hull": 5.158084053571429,
"spacegroup": 1
}
]
}