Collection: 2dmaterials, Doc: 2dm-3609

Formula: TaI2O

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-29027

Exfoliation energy: 66.3 meV/atom
Decomposition energy: 0.0 meV/atom

a: 3.90 Å
b: 7.48 Å

(c: 24.72 Å)

Spacegroup: Pmmm

Magnetic moment: 0.0 μB/unit cell

Bandgap: 941.2 meV (indirect) (PBE)

VASP inputs

Bandstructure and Density of States

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