Collection: 2dmaterials, Doc: 2dm-3117

Formula: LiTl

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-1078753

Exfoliation energy: 617.5 meV/atom
Decomposition energy: 753.1 meV/atom

a: 5.10 Å
b: 5.10 Å

(c: 25.77 Å)

Spacegroup: P-6m2

Magnetic moment: -0.0 μB/unit cell

Bandgap: 60.1 meV (indirect) (PBE)

VASP inputs

Bandstructure and Density of States

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