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"volume_molar": 16.003389802766645,
"formula_full": "Te4 Mo1 W1",
"formula_reduced": "Te4MoW",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.232936161111112,
"spacegroup": 187
},
{
"id": "jvasp-93927",
"created_at": "2022-09-04T14:36:15.674022Z",
"updated_at": "2022-09-04T14:36:15.674054Z",
"structure_string": "Zr4 Si2\n1.0\n4.627758 0.000000 2.671159\n2.313879 4.687193 1.335579\n-0.029272 -0.000000 5.395065\nZr Si\n4 2\ndirect\n0.157407 0.500000 0.185187 Zr\n0.342594 0.814812 0.500000 Zr\n0.657407 0.185187 0.500000 Zr\n0.842594 0.500000 0.814813 Zr\n0.250000 0.000000 0.000000 Si\n0.750000 0.000000 0.000000 Si\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Zr",
"Si"
],
"chemical_system": "Si-Zr",
"density": 5.956102679313153,
"density_atomic": 0.05111085227989702,
"volume": 117.39189883084629,
"volume_molar": 11.782508980717266,
"formula_full": "Zr4 Si2",
"formula_reduced": "Zr2Si",
"formula_anonymous": "AB2",
"energy_above_hull": 3.232362533333333,
"spacegroup": 140
}
]
}