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"created_at": "2022-09-04T14:36:57.989322Z",
"updated_at": "2022-09-04T14:36:57.989342Z",
"structure_string": "H10 C10 S2 N2 O2\n1.0\n5.113303 -0.056994 0.742163\n1.675890 5.934046 0.711094\n0.183766 0.036950 8.575815\nH C S N O\n10 10 2 2 2\ndirect\n0.407465 0.898127 0.700706 H\n0.407464 0.398127 0.200706 H\n0.200321 0.355051 0.497516 H\n0.200321 0.855051 0.997516 H\n0.794401 0.199383 0.646809 H\n0.794401 0.699383 0.146809 H\n0.698725 0.839217 0.806499 H\n0.698725 0.339217 0.306499 H\n0.718458 0.700672 0.487329 H\n0.718458 0.200672 0.987329 H\n0.607356 0.282905 0.216810 C\n0.607357 0.782906 0.716810 C\n0.335456 0.552788 0.870218 C\n0.335455 0.052788 0.370218 C\n0.958886 0.397532 0.020371 C\n0.951586 0.106080 0.561459 C\n0.951586 0.606081 0.061459 C\n0.170439 0.694783 0.976717 C\n0.170439 0.194782 0.476717 C\n0.958886 0.897532 0.520371 C\n0.233653 0.805954 0.373122 S\n0.233654 0.305954 0.873123 S\n0.796909 0.750271 0.574410 N\n0.796909 0.250271 0.074410 N\n0.564082 0.061654 0.267870 O\n0.564083 0.561655 0.767870 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-H-N-O-S",
"density": 1.6235290395179864,
"density_atomic": 0.09995145280157079,
"volume": 260.1262840232713,
"volume_molar": 6.025065760630303,
"formula_full": "H10 C10 S2 N2 O2",
"formula_reduced": "H5C5SNO",
"formula_anonymous": "ABCD5E5",
"energy_above_hull": 4.957261288461538,
"spacegroup": 1
}
]
}