Collection: 2dmaterials, Doc: 2dm-4008

Formula: Ti3H2O7

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-626547

Exfoliation energy: 22.9 meV/atom
Decomposition energy: 92.6 meV/atom

a: 3.76 Å
b: 9.44 Å

(c: 28.67 Å)

Spacegroup: P-1

Magnetic moment: -0.0 μB/unit cell

Bandgap: 2932.2 meV (indirect) (PBE)

VASP inputs

Bandstructure and Density of States

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