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)

VASP inputs

Bandstructure and Density of States

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