Geometry

Info

ID:

4661

ICSD:

190075

Name:

Barium carbonate

Comp.:

C1Ba1O3

Symm.:

 Pmcn(62)

Latt.:

 orthorhombic

Spin:

 0.000

Eg/Eg':

4.419/4.408 eV

me/mh:

31.905/166.896

K-data

high symmetry path:

G - Z - T - Y - S - R - U - X - G - Y

high symmetry points:

G: 0.0 0.0 0.0 S: -0.5 0.5 0.0 R: -0.5 0.5 0.5 U: 0.0 0.5 0.5 T: -0.5 0.0 0.5 Y: -0.5 0.0 0.0 X: 0.0 0.5 0.0 Z: 0.0 0.0 0.5

DOS

Bands