Collection: 2dmaterials, Doc: 2dm-3054

Formula: NbCl2O

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-1025567

Exfoliation energy: 59.5 meV/atom
Decomposition energy: 0.0 meV/atom

a: 3.93 Å
b: 6.74 Å

(c: 23.91 Å)

Spacegroup: Pmm2

Magnetic moment: 0.0 μB/unit cell

Bandgap: 824.7 meV (indirect) (PBE)

VASP inputs

Bandstructure and Density of States

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