Collection: 2dmaterials, Doc: 2dm-3718
Formula: MoNCl3
Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-23396
Exfoliation energy: 54.0 meV/atom
Decomposition energy: 0.0 meV/atom
a: 8.17 Å
b: 9.17 Å
(c: 25.98 Å)
Spacegroup: P-1
Magnetic moment: 0.0 μB/unit cell
Bandgap: 1610.0 meV (direct) (PBE)
Bandstructure and Density of States
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