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"created_at": "2022-09-04T14:38:32.520820Z",
"updated_at": "2022-09-04T14:38:32.520849Z",
"structure_string": "Nb6 Cl16\n1.0\n3.396725 -5.883299 0.000000\n3.396725 5.883299 0.000000\n0.000000 0.000000 12.281528\nNb Cl\n6 16\ndirect\n0.527892 0.055786 0.246310 Nb\n0.944213 0.472106 0.246310 Nb\n0.527892 0.472107 0.246310 Nb\n0.472106 0.944213 0.753691 Nb\n0.472107 0.527892 0.753691 Nb\n0.055786 0.527892 0.753691 Nb\n0.167869 0.832129 0.618668 Cl\n0.832129 0.664258 0.381332 Cl\n0.832129 0.167869 0.381332 Cl\n0.335741 0.167870 0.381332 Cl\n0.835831 0.671663 0.864347 Cl\n0.328336 0.164168 0.864347 Cl\n0.835831 0.164167 0.864347 Cl\n0.671663 0.835831 0.135653 Cl\n0.164167 0.835831 0.135653 Cl\n0.664258 0.832129 0.618668 Cl\n0.666666 0.333332 0.642839 Cl\n0.333332 0.666666 0.357161 Cl\n0.333332 0.666666 0.904666 Cl\n0.666666 0.333332 0.095334 Cl\n0.164168 0.328336 0.135653 Cl\n0.167870 0.335741 0.618668 Cl\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Nb",
"Cl"
],
"chemical_system": "Cl-Nb",
"density": 3.804668196234114,
"density_atomic": 0.04481867098762622,
"volume": 490.86685337175385,
"volume_molar": 13.436678570104464,
"formula_full": "Nb6 Cl16",
"formula_reduced": "Nb3Cl8",
"formula_anonymous": "A3B8",
"energy_above_hull": 1.7784037036363634,
"spacegroup": 164
}
]
}