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)
Bandstructure and Density of States
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