Collection: 2dmaterials, Doc: 2dm-3489

Formula: NaN3

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-22777

Exfoliation energy: meV/atom
Decomposition energy: 975.7 meV/atom

a: 5.59 Å
b: 4.71 Å

(c: 20.04 Å)

Spacegroup: Pmmm

Magnetic moment: 2.0205619 μB/unit cell

Bandgap: 1097.1 meV (indirect) (PBE)

VASP inputs

Bandstructure and Density of States

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