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"created_at": "2022-09-04T14:37:05.861756Z",
"updated_at": "2022-09-04T14:37:05.861776Z",
"structure_string": "Tl4 Ni2 C8 N8\n1.0\n5.994717 0.000000 -1.551287\n0.000000 7.134878 0.000000\n-0.059295 0.000000 9.364075\nTl Ni C N\n4 2 8 8\ndirect\n0.728615 0.342133 0.418475 Tl\n0.228615 0.157867 0.918475 Tl\n0.771387 0.842133 0.081525 Tl\n0.271387 0.657867 0.581526 Tl\n0.000000 0.500000 0.000000 Ni\n0.500001 0.000000 0.500000 Ni\n0.804213 0.342295 0.061062 C\n0.685721 0.999749 0.689988 C\n0.195789 0.657705 0.938939 C\n0.314280 0.000251 0.310012 C\n0.814281 0.499749 0.810013 C\n0.185720 0.500251 0.189988 C\n0.304213 0.157705 0.561062 C\n0.695789 0.842295 0.438938 C\n0.683476 0.240175 0.101617 N\n0.697772 0.499072 0.689652 N\n0.816525 0.740176 0.398383 N\n0.302230 0.500929 0.310348 N\n0.802231 0.999072 0.810348 N\n0.316526 0.759825 0.898384 N\n0.197771 0.000929 0.189652 N\n0.183476 0.259825 0.601617 N\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Tl",
"Ni",
"C",
"N"
],
"chemical_system": "C-N-Ni-Tl",
"density": 4.746898275879738,
"density_atomic": 0.05501926507514356,
"volume": 399.8599394221842,
"volume_molar": 10.945512906752121,
"formula_full": "Tl4 Ni2 C8 N8",
"formula_reduced": "Tl2Ni(CN)4",
"formula_anonymous": "AB2C4D4",
"energy_above_hull": 4.9127846,
"spacegroup": 14
}
]
}