Collection: 2dmaterials, Doc: 2dm-3323

Formula: NaN3

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-1064272

Exfoliation energy: 68.0 meV/atom
Decomposition energy: 956.5 meV/atom

a: 4.68 Å
b: 6.68 Å

(c: 20.00 Å)

Spacegroup: P2/m

Magnetic moment: 1.9982335 μB/unit cell

Bandgap: 891.0 meV (indirect) (PBE)

VASP inputs

Bandstructure and Density of States

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