Collection: 2dmaterials, Doc: 2dm-3662

Formula: RbPSe6

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-17945

Exfoliation energy: 102.9 meV/atom
Decomposition energy: 9.9 meV/atom

a: 11.23 Å
b: 12.17 Å

(c: 25.87 Å)

Spacegroup: Pca2_1

Magnetic moment: 0.0 μB/unit cell

Bandgap: 2001.5 meV (indirect) (PBE)

VASP inputs

Bandstructure and Density of States

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