Collection: 2dmaterials, Doc: 2dm-3502

Formula: TeI

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-23273

Exfoliation energy: 98.4 meV/atom
Decomposition energy: 25.2 meV/atom

a: 8.19 Å
b: 9.99 Å

(c: 24.87 Å)

Spacegroup: Pmma

Magnetic moment: -0.0 μB/unit cell

Bandgap: 825.9 meV (direct) (PBE)

VASP inputs

Bandstructure and Density of States

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