Collection: 2dmaterials, Doc: 2dm-3763
Formula: ZrNCl
Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-632657
Exfoliation energy: 61.8 meV/atom
Decomposition energy: 230.5 meV/atom
a: 3.45 Å
b: 3.45 Å
(c: 22.45 Å)
Spacegroup: P3m1
Magnetic moment: -0.0 μB/unit cell
Bandgap: 3178.2 meV (indirect) (PBE)
Bandstructure and Density of States
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