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"id": "jvasp-114701",
"created_at": "2022-09-04T14:38:43.306143Z",
"updated_at": "2022-09-04T14:38:43.306164Z",
"structure_string": "Ni1 C1 S1\n1.0\n4.233418 0.000000 0.000000\n0.000000 4.233418 0.000000\n0.000000 0.000000 8.466836\nNi C S\n1 1 1\ndirect\n0.000000 0.000000 0.006824 Ni\n0.000000 0.000000 0.198659 C\n0.000000 0.000000 0.762223 S\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ni",
"C",
"S"
],
"chemical_system": "C-Ni-S",
"density": 1.1246262051966969,
"density_atomic": 0.019770506832558536,
"volume": 151.74117818059824,
"volume_molar": 30.460224469726775,
"formula_full": "Ni1 C1 S1",
"formula_reduced": "NiCS",
"formula_anonymous": "ABC",
"energy_above_hull": 3.5182541333333326,
"spacegroup": 99
}
]
}