Collection: 2dmaterials, Doc: 2dm-4052

Formula: Ta3(OF)5

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-756593

Exfoliation energy: 36.1 meV/atom
Decomposition energy: 85.2 meV/atom

a: 3.94 Å
b: 4.01 Å

(c: 31.58 Å)

Spacegroup: Pmmm

Magnetic moment: 0.0 μB/unit cell

Bandgap: 2202.9 meV (indirect) (PBE)

VASP inputs

Bandstructure and Density of States

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