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"created_at": "2022-09-04T14:38:50.146549Z",
"updated_at": "2022-09-04T14:38:50.146570Z",
"structure_string": "Mg4 In8 S16\n1.0\n3.738743 0.000000 0.000000\n0.000000 12.367741 0.000000\n0.000000 0.000000 12.785797\nMg In S\n4 8 16\ndirect\n0.749999 0.118554 0.439979 Mg\n0.250000 0.881446 0.560021 Mg\n0.250000 0.381446 0.939979 Mg\n0.749999 0.618554 0.060021 Mg\n0.250000 0.645627 0.796867 In\n0.749999 0.354373 0.203133 In\n0.250000 0.145627 0.703133 In\n0.749999 0.854373 0.296867 In\n0.749999 0.389061 0.585259 In\n0.749999 0.889061 0.914741 In\n0.250000 0.110939 0.085259 In\n0.250000 0.610939 0.414741 In\n0.250000 0.218731 0.259751 S\n0.250000 0.744539 0.981253 S\n0.749999 0.255460 0.018747 S\n0.250000 0.718731 0.240250 S\n0.749999 0.281269 0.759751 S\n0.749999 0.781269 0.740250 S\n0.250000 0.531627 0.617384 S\n0.250000 0.982132 0.384708 S\n0.749999 0.968373 0.117384 S\n0.250000 0.031627 0.882616 S\n0.749999 0.517867 0.884708 S\n0.250000 0.482133 0.115292 S\n0.250000 0.244539 0.518747 S\n0.749999 0.017867 0.615292 S\n0.749999 0.468373 0.382616 S\n0.749999 0.755460 0.481253 S\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Mg",
"In",
"S"
],
"chemical_system": "In-Mg-S",
"density": 4.293951236851315,
"density_atomic": 0.047360276769766875,
"volume": 591.2127611947194,
"volume_molar": 12.715594525081665,
"formula_full": "Mg4 In8 S16",
"formula_reduced": "Mg(InS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.8164212842857141,
"spacegroup": 62
}
]
}