Collection: 2dmaterials, Doc: 2dm-3083

Formula: CdNCl3

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-1080587

Exfoliation energy: 42.1 meV/atom
Decomposition energy: 678.8 meV/atom

a: 5.51 Å
b: 7.17 Å

(c: 24.31 Å)

Spacegroup: P2_1/m

Magnetic moment: 0.0 μB/unit cell

Bandgap: 1225.8 meV (direct) (PBE)

VASP inputs

Bandstructure and Density of States

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