Collection: 2dmaterials, Doc: 2dm-3175

Formula: ZrN2

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-1008600

Exfoliation energy: 112.3 meV/atom
Decomposition energy: 1199.9 meV/atom

a: 3.41 Å
b: 3.41 Å

(c: 21.95 Å)

Spacegroup: P-3m1

Magnetic moment: 0.016569 μB/unit cell

Bandgap: 0.0 meV (PBE)

VASP inputs

Bandstructure and Density of States

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