Collection: 2dmaterials, Doc: 2dm-3655

Formula: TiNCl

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-27850

Exfoliation energy: 38.6 meV/atom
Decomposition energy: 0.0 meV/atom

a: 3.27 Å
b: 3.95 Å

(c: 25.22 Å)

Spacegroup: Pmmn

Magnetic moment: -0.0 μB/unit cell

Bandgap: 574.0 meV (direct) (PBE)

VASP inputs

Bandstructure and Density of States

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