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"created_at": "2022-09-04T14:38:36.300170Z",
"updated_at": "2022-09-04T14:38:36.300182Z",
"structure_string": "Te8 Mo8 S8\n1.0\n-3.377899 0.197435 -0.000000\n0.000000 -0.000001 13.691739\n0.679689 11.628758 -0.000000\nTe Mo S\n8 8 8\ndirect\n0.000001 0.886606 0.688402 Te\n0.500001 0.883822 0.422488 Te\n0.999999 0.383823 0.327511 Te\n0.999999 0.116177 0.327511 Te\n0.500001 0.616178 0.422488 Te\n0.499999 0.386607 0.061598 Te\n0.499999 0.113393 0.061598 Te\n0.000001 0.613394 0.688402 Te\n0.999999 0.250000 0.150864 Mo\n0.000001 0.750000 0.859472 Mo\n0.499999 0.250000 0.890528 Mo\n0.500001 0.750000 0.599136 Mo\n0.999999 0.250000 0.657180 Mo\n0.000001 0.750000 0.329183 Mo\n0.499999 0.250000 0.420817 Mo\n0.500001 0.750000 0.092820 Mo\n0.000001 0.862306 0.168990 S\n0.499999 0.137691 0.581009 S\n0.500001 0.637820 0.934332 S\n0.999999 0.137818 0.815669 S\n0.999999 0.362182 0.815669 S\n0.500001 0.862180 0.934332 S\n0.000001 0.637694 0.168990 S\n0.499999 0.362309 0.581009 S\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Te",
"Mo",
"S"
],
"chemical_system": "Mo-S-Te",
"density": 6.291999491490546,
"density_atomic": 0.04447249460616841,
"volume": 539.6594054940008,
"volume_molar": 13.54127042642829,
"formula_full": "Te8 Mo8 S8",
"formula_reduced": "TeMoS",
"formula_anonymous": "ABC",
"energy_above_hull": 2.411411222222222,
"spacegroup": 59
}
]
}