Collection: 2dmaterials, Doc: 2dm-3816

Formula: TiO2

Discovery Process: Exfoliation from layered material
Obtained from 3D: mvc-11600

Exfoliation energy: 8.9 meV/atom
Decomposition energy: 151.9 meV/atom

a: 2.99 Å
b: 2.99 Å

(c: 21.94 Å)

Spacegroup: P-3m1

Magnetic moment: -0.0 μB/unit cell

Bandgap: 2653.5 meV (indirect) (PBE)

VASP inputs

Bandstructure and Density of States

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