Geometry

Info

ID:

2859

ICSD:

109031

Name:

Barium - IVb, HP

Comp.:

Ba1

Symm.:

 P4/mmm(123)

Latt.:

 tetragonal

Spin:

 0.000

Eg/Eg':

0.060/0.043 eV

me/mh:

28.153/-82.171

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