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"formula_full": "Lu4 Co4 B16",
"formula_reduced": "LuCoB4",
"formula_anonymous": "ABC4",
"energy_above_hull": 4.05822116388889,
"spacegroup": 55
},
{
"id": "jvasp-5641",
"created_at": "2022-09-04T14:38:37.886485Z",
"updated_at": "2022-09-04T14:38:37.886509Z",
"structure_string": "Sn8 Cl16\n1.0\n0.000000 9.230912 -0.006798\n4.409452 0.000000 0.000000\n0.000000 -0.010921 -15.506684\nSn Cl\n8 16\ndirect\n0.577373 0.749800 0.383845 Sn\n0.422627 0.249800 0.116155 Sn\n0.422627 0.250200 0.616155 Sn\n0.577373 0.750200 0.883845 Sn\n0.077381 0.250084 0.366158 Sn\n0.922619 0.750084 0.133842 Sn\n0.922619 0.749916 0.633842 Sn\n0.077381 0.249916 0.866158 Sn\n0.078800 0.249939 0.571392 Cl\n0.921200 0.749939 0.928608 Cl\n0.421202 0.249962 0.321392 Cl\n0.578798 0.749961 0.178608 Cl\n0.578798 0.750038 0.678608 Cl\n0.421202 0.250038 0.821392 Cl\n0.344330 0.750051 0.990159 Cl\n0.844320 0.250157 0.259845 Cl\n0.655670 0.249948 0.009841 Cl\n0.344330 0.749948 0.490159 Cl\n0.078800 0.250060 0.071392 Cl\n0.155680 0.750156 0.240155 Cl\n0.155680 0.749843 0.740155 Cl\n0.844320 0.249843 0.759845 Cl\n0.655670 0.250051 0.509841 Cl\n0.921200 0.750060 0.428608 Cl\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Sn",
"Cl"
],
"chemical_system": "Cl-Sn",
"density": 3.990852465927659,
"density_atomic": 0.03802444199410639,
"volume": 631.1729703678462,
"volume_molar": 15.837551964426998,
"formula_full": "Sn8 Cl16",
"formula_reduced": "SnCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.6666666666720342e-05,
"spacegroup": 62
}
]
}