Collection: 2dmaterials, Doc: 2dm-4049
Formula: FePS3
Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-5864
Exfoliation energy: 81.4 meV/atom
Decomposition energy: 137.9 meV/atom
a: 5.91 Å
b: 5.93 Å
(c: 23.18 Å)
Spacegroup: P-31m
Magnetic moment: 8.0036111 μB/unit cell
Bandgap: 0.0 meV (PBE)
Bandstructure and Density of States
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