Geometry

Info

ID:

13518

ICSD:

647692

Name:

Zirconium oxide (1/2)

Comp.:

O2Zr1

Symm.:

 P42/nmcZ(137)

Latt.:

 tetragonal

Spin:

 0.000

Eg/Eg':

4.292/None eV

me/mh:

14.541/-427.686

K-data

high symmetry path:

G - X - M - G - Z - R - A - Z

high symmetry points:

A: 0.5 0.5 0.5 G: 0.0 0.0 0.0 M: 0.5 0.5 0.0 R: 0.0 0.5 0.5 X: 0.0 0.5 0.0 Z: 0.0 0.0 0.5

DOS

Bands