Collection: 2dmaterials, Doc: 2dm-4039

Formula: TiO2

Discovery Process: Exfoliation from layered material
Obtained from 3D: mvc-13391

Exfoliation energy: 49.7 meV/atom
Decomposition energy: 2730.0 meV/atom

a: 3.44 Å
b: 3.44 Å

(c: 23.25 Å)

Spacegroup: P6/mmm

Magnetic moment: 0.9850646 μB/unit cell

Bandgap: 0.0 meV (PBE)

VASP inputs

Bandstructure and Density of States

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