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)

VASP inputs

Bandstructure and Density of States

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