Collection: 2dmaterials, Doc: 2dm-4007

Formula: K(MoO3)3

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-19607

Exfoliation energy: meV/atom
Decomposition energy: 89.5 meV/atom

a: 6.54 Å
b: 7.88 Å

(c: 29.15 Å)

Spacegroup: P2/m

Magnetic moment: -0.0041292 μB/unit cell

Bandgap: 465.9 meV (indirect) (PBE)

VASP inputs

Bandstructure and Density of States

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