Collection: twodmaterials, Doc: 2dm-4246

Formula: TiS3

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-9920

Exfoliation energy: 54.2 meV/atom
Decomposition energy: 0.0 meV/atom

a: 3.41 Å
b: 5.03 Å

(c: 25.69 Å)

Spacegroup: Pmmn

Magnetic moment: -0.0 μB/unit cell

Bandgap: 275.5 meV (direct) (PBE)

VASP inputs

Bandstructure and Density of States

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