Geometry

Info

ID:

4084

ICSD:

23349

Name:

Tricesium nonachlorodibismuthate(III) - II, HT

Comp.:

Bi2Cl9Cs3

Symm.:

P321(150)

Latt.:

hexagonal

Spin:

0.001

Eg/Eg':

3.245/None eV

me/mh:

-53.877/-105.242

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