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"created_at": "2022-09-04T14:36:05.489198Z",
"updated_at": "2022-09-04T14:36:05.489226Z",
"structure_string": "K4 Nb2 Cl12\n1.0\n6.829117 -0.000000 0.000000\n0.000000 6.829117 0.000000\n0.000000 -0.000000 10.265153\nK Nb Cl\n4 2 12\ndirect\n0.500000 0.000000 0.750000 K\n0.000000 0.500000 0.750000 K\n0.500000 0.000000 0.250000 K\n0.000000 0.500000 0.250000 K\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 Nb\n0.298019 0.792644 0.500000 Cl\n0.292644 0.798019 0.000000 Cl\n0.207356 0.298019 0.500000 Cl\n0.707357 0.201981 0.000000 Cl\n0.201981 0.292644 0.000000 Cl\n0.701982 0.207356 0.500000 Cl\n0.500000 0.500000 0.260670 Cl\n0.792644 0.701982 0.500000 Cl\n0.000000 0.000000 0.760670 Cl\n0.500000 0.500000 0.739330 Cl\n0.798019 0.707357 0.000000 Cl\n0.000000 0.000000 0.239330 Cl\n",
"nsites": 18,
"nelements": 3,
"elements": [
"K",
"Nb",
"Cl"
],
"chemical_system": "Cl-K-Nb",
"density": 2.662645012714576,
"density_atomic": 0.03759914520414807,
"volume": 478.73428776817457,
"volume_molar": 16.01669593099052,
"formula_full": "K4 Nb2 Cl12",
"formula_reduced": "K2NbCl6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.3694210894444444,
"spacegroup": 128
}
]
}