Collection: 2dmaterials, Doc: 2dm-3751

Formula: MnO2

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-25547

Exfoliation energy: 56.3 meV/atom
Decomposition energy: 14.3 meV/atom

a: 2.92 Å
b: 2.92 Å

(c: 21.91 Å)

Spacegroup: P-3m1

Magnetic moment: 3.0000237 μB/unit cell

Bandgap: 1948.7 meV (indirect) (PBE)

VASP inputs

Bandstructure and Density of States

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