Geometry

Info

ID:

3542

ICSD:

39707

Name:

Dibarium zirconium oxide

Comp.:

Ba2O4Zr1

Symm.:

 I4/mmm(139)

Latt.:

 tetragonal

Spin:

 0.000

Eg/Eg':

3.234/3.127 eV

me/mh:

39.033/-58.876

K-data

high symmetry path:

G - X - P - N - G - Z

high symmetry points:

G: 0.0 0.0 0.0 Z: 0.5 0.5 -0.5 N: 0.0 0.5 0.0 P: 0.25 0.25 0.25 X: 0.0 0.0 0.5

DOS

Bands