Geometry

Info

ID:

3258

ICSD:

186427

Name:

Barium sulfate

Comp.:

Ba1O4S1

Symm.:

 P212121(19)

Latt.:

 orthorhombic

Spin:

 0.000

Eg/Eg':

6.087/6.015 eV

me/mh:

22.757/-81.860

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