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"created_at": "2022-09-04T14:37:29.106372Z",
"updated_at": "2022-09-04T14:37:29.106383Z",
"structure_string": "Te2 Mo3 W1 Se2 S4\n1.0\n3.311079 0.000000 0.000000\n-1.655539 2.867502 -0.000003\n0.000000 -0.000035 37.445460\nTe Mo W Se S\n2 3 1 2 4\ndirect\n0.333357 0.666715 0.708535 Te\n0.333361 0.666722 0.606412 Te\n0.333311 0.666623 0.093936 Mo\n0.666690 0.333378 0.281803 Mo\n0.666691 0.333380 0.657574 Mo\n0.333311 0.666622 0.469633 W\n0.666641 0.333279 0.049236 Se\n0.666646 0.333290 0.138771 Se\n0.333356 0.666713 0.322645 S\n0.666643 0.333285 0.428617 S\n0.666645 0.333288 0.510637 S\n0.333354 0.666709 0.240949 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 4.731547986172876,
"density_atomic": 0.033752722098169305,
"volume": 355.52688062012226,
"volume_molar": 17.841940992150768,
"formula_full": "Te2 Mo3 W1 Se2 S4",
"formula_reduced": "Te2Mo3W(SeS2)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 3.821176663888889,
"spacegroup": 156
}
]
}