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"created_at": "2022-09-04T14:37:12.006611Z",
"updated_at": "2022-09-04T14:37:12.006631Z",
"structure_string": "H16 C24 S4\n1.0\n3.794826 0.146344 -0.307187\n0.103521 10.594169 -5.116187\n-0.371419 -0.260052 11.525466\nH C S\n16 24 4\ndirect\n0.506871 0.809751 0.005297 H\n0.063065 0.574656 0.391047 H\n0.563065 0.574657 0.891048 H\n0.200229 0.813109 0.328610 H\n0.752236 0.578306 0.715594 H\n0.252233 0.578305 0.215593 H\n0.636561 -0.001793 0.736271 H\n0.136570 -0.001794 0.236273 H\n0.700228 0.813110 0.828610 H\n0.064540 0.422333 0.780268 H\n0.736235 0.181115 0.186765 H\n0.236225 0.181114 0.686764 H\n0.223935 -0.003890 0.652276 H\n0.723948 -0.003890 0.152277 H\n0.006867 0.809751 0.505296 H\n0.564547 0.422332 0.280268 H\n0.850830 0.828575 0.174970 C\n0.350828 0.828577 0.674971 C\n0.914423 0.559320 0.044425 C\n0.414425 0.559319 0.544425 C\n0.222597 0.062272 0.858606 C\n0.170583 0.759090 0.551890 C\n0.670585 0.759089 0.051890 C\n0.703160 0.626812 0.986978 C\n0.203161 0.626811 0.486977 C\n0.576619 0.628348 0.671402 C\n0.722602 0.062272 0.358607 C\n0.076617 0.628348 0.171402 C\n0.491955 0.423532 0.465709 C\n0.048595 0.761193 0.235146 C\n0.359384 0.971545 0.727514 C\n0.859392 0.971543 0.227514 C\n0.650842 0.190249 0.376300 C\n0.150836 0.190247 0.876300 C\n0.991950 0.423533 0.965709 C\n0.566468 0.368014 0.335508 C\n0.066462 0.368014 0.835507 C\n0.659698 0.238046 0.285596 C\n0.159691 0.238045 0.785596 C\n0.548593 0.761194 0.735145 C\n0.168846 0.020175 0.974519 S\n0.027513 0.311963 0.025531 S\n0.527517 0.311963 0.525531 S\n0.668849 0.020174 0.474519 S\n",
"nsites": 44,
"nelements": 3,
"elements": [
"H",
"C",
"S"
],
"chemical_system": "C-H-S",
"density": 1.571307978573293,
"density_atomic": 0.0962352923855749,
"volume": 457.21272216548425,
"volume_molar": 6.257725841234814,
"formula_full": "H16 C24 S4",
"formula_reduced": "H4C6S",
"formula_anonymous": "AB4C6",
"energy_above_hull": 5.328282727272728,
"spacegroup": 1
}
]
}