Geometry

Info

ID:

10683

ICSD:

74648

Name:

Zirconium(III) iodide

Comp.:

I3Zr1

Symm.:

 PmmnZ(59)

Latt.:

 orthorhombic

Spin:

 0.000

Eg/Eg':

0.566/0.430 eV

me/mh:

27.285/-13.116

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