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"updated_at": "2022-09-04T14:37:55.674163Z",
"structure_string": "S2 I4 O12\n1.0\n4.539793 0.000000 1.289139\n1.762435 7.452191 2.431628\n-0.009740 0.066550 8.672471\nS I O\n2 4 12\ndirect\n0.823943 0.750000 0.250000 S\n0.176057 0.250000 0.750000 S\n0.135553 0.074029 0.252561 I\n0.864447 0.925971 0.747439 I\n0.537858 0.574028 0.752561 I\n0.462142 0.425971 0.247439 I\n0.099149 0.681903 0.131701 O\n0.912753 0.818097 0.368299 O\n0.703037 0.706304 0.859557 O\n0.329734 0.396499 0.647693 O\n0.731103 0.206304 0.359557 O\n0.087248 0.181903 0.631701 O\n0.900851 0.318097 0.868299 O\n0.626075 0.896499 0.147693 O\n0.670267 0.603501 0.352307 O\n0.373926 0.103501 0.852307 O\n0.296964 0.293696 0.140443 O\n0.268898 0.793696 0.640443 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"S",
"I",
"O"
],
"chemical_system": "I-O-S",
"density": 4.3297005410920395,
"density_atomic": 0.06145190407954585,
"volume": 292.9119979211721,
"volume_molar": 9.799762676522919,
"formula_full": "S2 I4 O12",
"formula_reduced": "S(IO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 1.9863092833333336,
"spacegroup": 15
}
]
}