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"updated_at": "2022-09-04T14:38:39.069563Z",
"structure_string": "Ti3 Fe1 S6\n1.0\n5.206453 -0.010518 3.870788\n1.939740 4.831633 3.870788\n-0.015591 -0.010518 6.487674\nTi Fe S\n3 1 6\ndirect\n0.000000 0.000000 0.000000 Ti\n0.329555 0.329555 0.329555 Ti\n0.670445 0.670444 0.670445 Ti\n0.500000 0.499999 0.500000 Fe\n0.904143 0.581201 0.249584 S\n0.581202 0.249583 0.904143 S\n0.249584 0.904142 0.581202 S\n0.750416 0.095857 0.418798 S\n0.418798 0.750416 0.095858 S\n0.095857 0.418797 0.750416 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ti",
"Fe",
"S"
],
"chemical_system": "Fe-S-Ti",
"density": 3.9732626707776055,
"density_atomic": 0.06106520862846989,
"volume": 163.75936846202453,
"volume_molar": 9.861819676470164,
"formula_full": "Ti3 Fe1 S6",
"formula_reduced": "Ti3FeS6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 3.01650305,
"spacegroup": 148
}
]
}