Geometry

Info

ID:

3256

ICSD:

290002

Name:

Barium zirconate

Comp.:

Ba1O3Zr1

Symm.:

Pm-3m(221)

Latt.:

cubic

Spin:

0.000

Eg/Eg':

3.371/3.213 eV

me/mh:

4.778/-5.635

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