Collection: 2dmaterials, Doc: 2dm-3521

Formula: TlF3

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-2632

Exfoliation energy: 170.5 meV/atom
Decomposition energy: 0.0 meV/atom

a: 4.62 Å
b: 5.90 Å

(c: 22.61 Å)

Spacegroup: Pmc2_1

Magnetic moment: -0.0 μB/unit cell

Bandgap: 2562.8 meV (indirect) (PBE)

VASP inputs

Bandstructure and Density of States

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