Collection: 2dmaterials, Doc: 2dm-3578

Formula: Te2O3F2

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-29185

Exfoliation energy: 90.9 meV/atom
Decomposition energy: 13.8 meV/atom

a: 5.12 Å
b: 6.17 Å

(c: 26.12 Å)

Spacegroup: P-1

Magnetic moment: -0.0 μB/unit cell

Bandgap: 3290.6 meV (indirect) (PBE)

VASP inputs

Bandstructure and Density of States

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