Geometry

Info

ID:

6205

ICSD:

190379

Name:

Zirconium nitride chloride

Comp.:

Cl1N1Zr1

Symm.:

 R-3mH(166)

Latt.:

 rhombohedral

Spin:

 0.000

Eg/Eg':

2.392/1.930 eV

me/mh:

4.115/-4.345

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