Geometry

Info

ID:

2881

ICSD:

172757

Name:

Barium bismuth(III) bismuth(V) oxide

Comp.:

Ba1Bi1O3

Symm.:

 I12/m1(12)

Latt.:

 monoclinic

Spin:

 0.000

Eg/Eg':

0.892/0.513 eV

me/mh:

51.444/-14.889

K-data

high symmetry path:

G - Y - V - G - A - M - L - V

high symmetry points:

A: 0.0 0.0 0.5 G: 0.0 0.0 0.0 M: 0.5 0.5 0.5 L: 0.5 0.0 0.5 V: 0.5 0.0 0.0 Y: 0.5 0.5 0.0

DOS

Bands