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"spacegroup": 1
},
{
"id": "jvasp-101832",
"created_at": "2022-09-04T14:36:57.295228Z",
"updated_at": "2022-09-04T14:36:57.295247Z",
"structure_string": "H10 C10 S2 N2 O2\n1.0\n5.442117 -0.076457 2.128799\n0.106997 6.253100 2.644387\n0.154999 -0.237552 7.722740\nH C S N O\n10 10 2 2 2\ndirect\n0.880621 0.171396 0.010330 H\n0.880624 0.671396 0.510331 H\n0.707855 0.728881 0.848282 H\n0.707854 0.228881 0.348281 H\n0.420553 0.964787 0.060289 H\n0.420551 0.464788 0.560288 H\n0.013152 0.429325 0.875374 H\n0.013153 0.929326 0.375374 H\n0.724986 0.257489 0.723682 H\n0.724986 0.757485 0.223684 H\n0.949138 0.792868 0.361863 C\n0.949137 0.292868 0.861862 C\n0.422756 0.989903 0.520325 C\n0.422756 0.489904 0.020324 C\n0.156009 0.211618 0.718714 C\n0.530086 0.680441 0.966411 C\n0.530085 0.180441 0.466411 C\n0.374004 0.306518 0.580105 C\n0.374005 0.806518 0.080106 C\n0.156010 0.711618 0.218714 C\n0.135017 0.461253 0.209410 S\n0.135018 0.961252 0.709411 S\n0.740662 0.363886 0.785259 N\n0.740663 0.863884 0.285261 N\n0.502889 0.321177 0.957004 O\n0.502890 0.821176 0.457007 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-H-N-O-S",
"density": 1.5988667075566507,
"density_atomic": 0.098433133234129,
"volume": 264.138701530078,
"volume_molar": 6.118001695299065,
"formula_full": "H10 C10 S2 N2 O2",
"formula_reduced": "H5C5SNO",
"formula_anonymous": "ABCD5E5",
"energy_above_hull": 4.964115903846154,
"spacegroup": 1
}
]
}