Collection: 2dmaterials, Doc: 2dm-3505

Formula: Mn2NiO6

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-25569

Exfoliation energy: 51.4 meV/atom
Decomposition energy: 70.6 meV/atom

a: 4.98 Å
b: 4.98 Å

(c: 21.91 Å)

Spacegroup: P-31m

Magnetic moment: 5.9990738 μB/unit cell

Bandgap: 1454.2 meV (indirect) (PBE)

VASP inputs

Bandstructure and Density of States

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