Geometry

Info

ID:

3222

ICSD:

173922

Name:

Barium oxide - III

Comp.:

Ba1O1

Symm.:

 P4/nmmS(129)

Latt.:

 tetragonal

Spin:

 0.000

Eg/Eg':

3.221/3.164 eV

me/mh:

11.964/-288.804

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