Collection: 2dmaterials, Doc: 2dm-4037

Formula: Ti3H2O7

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-626565

Exfoliation energy: 14.3 meV/atom
Decomposition energy: 152.4 meV/atom

a: 3.80 Å
b: 9.45 Å

(c: 27.88 Å)

Spacegroup: P2_1

Magnetic moment: -0.0 μB/unit cell

Bandgap: 2560.6 meV (indirect) (PBE)

VASP inputs

Bandstructure and Density of States

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