Collection: 2dmaterials, Doc: 2dm-3821
Formula: ZnPS3
Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-3342
Exfoliation energy: 66.0 meV/atom
Decomposition energy: 13.8 meV/atom
a: 6.00 Å
b: 6.00 Å
(c: 23.23 Å)
Spacegroup: P-31m
Magnetic moment: 0.0 μB/unit cell
Bandgap: 2148.5 meV (indirect) (PBE)
Bandstructure and Density of States
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