Geometry

Info

ID:

3333

ICSD:

616087

Name:

Barium titanium trisulfide

Comp.:

Ba1S3Ti1

Symm.:

 P63/mmc(194)

Latt.:

 hexagonal

Spin:

 0.000

Eg/Eg':

0.213/0.035 eV

me/mh:

13.647/148.495

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