Geometry

Info

ID:

10573

ICSD:

36119

Name:

Zirconium nitride iodide

Comp.:

I1N1Zr1

Symm.:

 PmmnS(59)

Latt.:

 orthorhombic

Spin:

 0.000

Eg/Eg':

2.111/2.062 eV

me/mh:

18.345/15.623

K-data

high symmetry path:

G - Z - T - Y - S - R - U - X - G - Y

high symmetry points:

G: 0.0 0.0 0.0 S: -0.5 0.5 0.0 R: -0.5 0.5 0.5 U: 0.0 0.5 0.5 T: -0.5 0.0 0.5 Y: -0.5 0.0 0.0 X: 0.0 0.5 0.0 Z: 0.0 0.0 0.5

DOS

Bands