Collection: 2dmaterials, Doc: 2dm-3930

Formula: BaNiF4

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-555321

Exfoliation energy: meV/atom
Decomposition energy: 124.4 meV/atom

a: 4.07 Å
b: 5.94 Å

(c: 26.56 Å)

Spacegroup: Pmn2_1

Magnetic moment: 4.008601 μB/unit cell

Bandgap: 4269.7 meV (indirect) (PBE)

VASP inputs

Bandstructure and Density of States

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