Collection: 2dmaterials, Doc: 2dm-4011

Formula: TaF5

Discovery Process: Exfoliation from layered material
Obtained from 3D: mvc-6067

Exfoliation energy: 33.8 meV/atom
Decomposition energy: 257.8 meV/atom

a: 3.63 Å
b: 8.36 Å

(c: 23.56 Å)

Spacegroup: Pmma

Magnetic moment: -0.0 μB/unit cell

Bandgap: 4338.5 meV (direct) (PBE)

VASP inputs

Bandstructure and Density of States

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