Geometry

Info

ID:

13414

ICSD:

77714

Name:

Zirconium oxide (2/1)

Comp.:

O1Zr2

Symm.:

Pn-3mS(224)

Latt.:

cubic

Spin:

0.798

Eg/Eg':

None/None eV

me/mh:

None/None

K-data

high symmetry path:

G - M - R - X - G - R

high symmetry points:

G: 0.0 0.0 0.0 R: 0.5 0.5 0.5 M: 0.5 0.5 0.0 X: 0.0 0.5 0.0

DOS

Bands