Collection: 2dmaterials, Doc: 2dm-3194
Formula: ZrS2
Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-1186
Exfoliation energy: 89.4 meV/atom
Decomposition energy: 0.0 meV/atom
a: 3.69 Å
b: 3.69 Å
(c: 22.91 Å)
Spacegroup: P-3m1
Magnetic moment: 0.0 μB/unit cell
Bandgap: 1126.2 meV (indirect) (PBE)
Bandstructure and Density of States
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