Collection: 2dmaterials, Doc: 2dm-3601

Formula: TlIn(PSe3)2

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-19985

Exfoliation energy: 92.7 meV/atom
Decomposition energy: 2.1 meV/atom

a: 6.52 Å
b: 12.93 Å

(c: 24.54 Å)

Spacegroup: P-1

Magnetic moment: -0.0 μB/unit cell

Bandgap: 1610.0 meV (indirect) (PBE)

VASP inputs

Bandstructure and Density of States

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