Geometry

Info

ID:

4660

ICSD:

91897

Name:

Barium carbonate - II

Comp.:

C1Ba1O3

Symm.:

 P-31c(163)

Latt.:

 hexagonal

Spin:

 0.000

Eg/Eg':

4.412/4.063 eV

me/mh:

26.860/-11.925

K-data

high symmetry path:

G - A - L - M - G - K - H - A

high symmetry points:

A: 0.0 0.0 0.5 G: 0.0 0.0 0.0 H: -0.333 0.667 0.5 K: -0.333 0.667 0.0 M: 0.0 0.5 0.0 L: 0.0 0.5 0.5

DOS

Bands