Collection: 2dmaterials, Doc: 2dm-3247
Formula: Ca(NCl)2
Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-1079409
Exfoliation energy: 93.1 meV/atom
Decomposition energy: 2052.2 meV/atom
a: 5.25 Å
b: 7.60 Å
(c: 23.90 Å)
Spacegroup: Pma2
Magnetic moment: 12.0007193 μB/unit cell
Bandgap: 1446.9 meV (direct) (PBE)
Bandstructure and Density of States
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