Collection: 2dmaterials, Doc: 2dm-3929

Formula: TlAsS2

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-4988

Exfoliation energy: meV/atom
Decomposition energy: 4.0 meV/atom

a: 6.10 Å
b: 11.54 Å

(c: 24.78 Å)

Spacegroup: P2_1

Magnetic moment: -0.0 μB/unit cell

Bandgap: 1792.2 meV (direct) (PBE)

VASP inputs

Bandstructure and Density of States

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