Geometry

Info

ID:

4322

ICSD:

190380

Name:

Zirconium nitride bromide

Comp.:

Br1N1Zr1

Symm.:

 R-3mH(166)

Latt.:

 rhombohedral

Spin:

 0.000

Eg/Eg':

2.288/1.609 eV

me/mh:

3.812/-3.326

K-data

high symmetry path:

G - L - F - G - Z

high symmetry points:

G: 0.0 0.0 0.0 Z: 0.5 0.5 0.5 L: 0.0 0.5 0.0 F: 0.5 0.5 0.0

DOS

Bands