Collection: 2dmaterials, Doc: 2dm-3411
Formula: TiCuF6
Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-1025502
Exfoliation energy: 127.5 meV/atom
Decomposition energy: 46.7 meV/atom
a: 4.99 Å
b: 5.29 Å
(c: 23.52 Å)
Spacegroup: P-1
Magnetic moment: 1.0000003 μB/unit cell
Bandgap: 624.9 meV (indirect) (PBE)
Bandstructure and Density of States
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