Geometry

Info

ID:

5249

ICSD:

79593

Name:

Dicesium sodium hexathiocyanobismuthate

Comp.:

C6Bi1Cs2N6Na1S6

Symm.:

P-3(147)

Latt.:

hexagonal

Spin:

0.000

Eg/Eg':

2.635/2.577 eV

me/mh:

-39.338/78.694

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