Geometry

Info

ID:

13523

ICSD:

173963

Name:

Zirconium dioxide

Comp.:

O2Zr1

Symm.:

 Pnma(62)

Latt.:

 orthorhombic

Spin:

 0.000

Eg/Eg':

2.899/None eV

me/mh:

-24.408/-73.810

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