Geometry

Info

ID:

3327

ICSD:

70059

Name:

Barium trisulfide

Comp.:

Ba1S3

Symm.:

 P-421m(113)

Latt.:

 tetragonal

Spin:

 0.000

Eg/Eg':

1.437/1.401 eV

me/mh:

27.045/91.362

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