Geometry

Info

ID:

10572

ICSD:

190381

Name:

Zirconium nitride iodide

Comp.:

I1N1Zr1

Symm.:

R-3mH(166)

Latt.:

rhombohedral

Spin:

0.000

Eg/Eg':

1.829/0.919 eV

me/mh:

3.249/-2.317

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