Collection: 2dmaterials, Doc: 2dm-3998

Formula: Fe(PS3)2

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-753614

Exfoliation energy: 67.7 meV/atom
Decomposition energy: 126.7 meV/atom

a: 5.80 Å
b: 5.80 Å

(c: 23.13 Å)

Spacegroup: C2

Magnetic moment: 1.9263368 μB/unit cell

Bandgap: 64.8 meV (indirect) (PBE)

VASP inputs

Bandstructure and Density of States

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