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"created_at": "2022-09-04T14:35:58.254927Z",
"updated_at": "2022-09-04T14:35:58.254946Z",
"structure_string": "K2 Mo6 S6\n1.0\n8.757592 0.000001 -0.000000\n-4.378797 7.584297 0.000000\n0.000000 0.000000 4.443431\nK Mo S\n2 6 6\ndirect\n0.333333 0.666667 0.750000 K\n0.666667 0.333333 0.250000 K\n0.966757 0.810512 0.250000 Mo\n0.843755 0.033242 0.250000 Mo\n0.156245 0.966758 0.750000 Mo\n0.033243 0.189488 0.750000 Mo\n0.189488 0.156245 0.250000 Mo\n0.810512 0.843755 0.750000 Mo\n0.934984 0.641573 0.750000 S\n0.065015 0.358427 0.250000 S\n0.293411 0.934985 0.250000 S\n0.641573 0.706589 0.250000 S\n0.358427 0.293411 0.750000 S\n0.706588 0.065015 0.750000 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"K",
"Mo",
"S"
],
"chemical_system": "K-Mo-S",
"density": 4.7612091658024145,
"density_atomic": 0.047436160139426226,
"volume": 295.1335006638533,
"volume_molar": 12.695253457066272,
"formula_full": "K2 Mo6 S6",
"formula_reduced": "K(MoS)3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 3.5772951,
"spacegroup": 176
}
]
}