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{
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"id": "mp-1025729",
"created_at": "2022-09-04T14:48:29.659989Z",
"structure_string": "Te4 Mo1 W2 Se2\n1.0\n1.739948 -3.013678 0.000000\n1.739948 3.013678 0.000000\n0.000000 0.000000 32.056908\nTe Mo W Se\n4 1 2 2\ndirect\n0.000000 0.000000 0.404541 Te\n0.333333 0.666667 0.520743 Te\n0.333333 0.666667 0.635919 Te\n0.000000 0.000000 0.289335 Te\n0.000000 0.000000 0.115665 Mo\n0.000000 0.000000 0.578380 W\n0.333333 0.666667 0.346960 W\n0.333333 0.666667 0.065058 Se\n0.333333 0.666667 0.166241 Se\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"Se"
],
"chemical_system": "Mo-Se-Te-W",
"density": 5.590977714187796,
"density_atomic": 0.026770579106001835,
"volume": 336.18996303229926,
"volume_molar": 22.495369771996696,
"formula_full": "Te4 Mo1 W2 Se2",
"formula_reduced": "Te4Mo(WSe)2",
"formula_anonymous": "AB2C2D4",
"energy": -61.22658203,
"energy_per_atom": -6.802953558888889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -58.59458203,
"band_gap": 0.141,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 8.32e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:54.373000Z",
"spacegroup": 156
}
]
}