Collection: 2dmaterials, Doc: 2dm-3554

Formula: TlBS3

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-28809

Exfoliation energy: 98.1 meV/atom
Decomposition energy: 24.4 meV/atom

a: 5.84 Å
b: 6.81 Å

(c: 23.90 Å)

Spacegroup: Pc

Magnetic moment: -0.0 μB/unit cell

Bandgap: 2136.7 meV (indirect) (PBE)

VASP inputs

Bandstructure and Density of States

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