Collection: twodmaterials, Doc: 2dm-4236

Formula: MnPS3

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-8613

Exfoliation energy: 66.0 meV/atom
Decomposition energy: 8.2 meV/atom

a: 6.07 Å
b: 6.07 Å

(c: 23.25 Å)

Spacegroup: P-31m

Magnetic moment: 10.0012143 μB/unit cell

Bandgap: 655.4 meV (direct) (PBE)

VASP inputs

Bandstructure and Density of States

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