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"created_at": "2022-09-04T14:37:06.779302Z",
"updated_at": "2022-09-04T14:37:06.779321Z",
"structure_string": "H16 C20 S4\n1.0\n4.672285 -0.047352 -0.150483\n-1.002892 8.226195 -2.598129\n-0.032376 -0.007258 10.753478\nH C S\n16 20 4\ndirect\n0.620771 0.882831 0.854226 H\n0.160768 0.511884 0.056157 H\n0.660770 0.511882 0.556159 H\n0.910769 0.011883 0.306158 H\n0.966516 0.085577 0.597117 H\n0.466511 0.085581 0.097116 H\n0.716513 0.585579 0.847116 H\n0.216513 0.585579 0.347116 H\n0.410768 0.011882 0.806159 H\n0.845802 0.338458 0.223554 H\n0.095803 0.838456 0.973553 H\n0.595803 0.838456 0.473554 H\n0.370769 0.382832 0.104226 H\n0.870773 0.382830 0.604226 H\n0.120769 0.882832 0.354226 H\n0.345804 0.338454 0.723553 H\n0.465534 0.802193 0.656045 C\n0.965534 0.802194 0.156044 C\n0.715534 0.302193 0.406045 C\n0.215532 0.302193 0.906044 C\n0.838857 0.438267 0.525252 C\n0.088855 0.938268 0.275252 C\n0.338855 0.438268 0.025252 C\n0.851523 0.059513 0.784705 C\n0.588856 0.938267 0.775252 C\n0.351521 0.059514 0.284704 C\n0.002333 0.129127 0.703421 C\n0.101522 0.559513 0.534705 C\n0.209741 0.267405 0.772560 C\n0.709740 0.267407 0.272560 C\n0.959742 0.767407 0.022560 C\n0.459740 0.767406 0.522560 C\n0.502332 0.129129 0.203421 C\n0.752332 0.629128 0.953421 C\n0.252333 0.629128 0.453421 C\n0.601522 0.559514 0.034705 C\n0.471685 0.161725 0.445515 S\n0.221685 0.661725 0.695516 S\n0.721685 0.661727 0.195516 S\n0.971684 0.161727 0.945516 S\n",
"nsites": 40,
"nelements": 3,
"elements": [
"H",
"C",
"S"
],
"chemical_system": "C-H-S",
"density": 1.5476025201545962,
"density_atomic": 0.09693036940433096,
"volume": 412.6673636530344,
"volume_molar": 6.212852377441702,
"formula_full": "H16 C20 S4",
"formula_reduced": "H4C5S",
"formula_anonymous": "AB4C5",
"energy_above_hull": 5.083042,
"spacegroup": 8
}
]
}