Geometry

Info

ID:

3947

ICSD:

20676

Name:

Bismuth triiodide - HT

Comp.:

Bi1I3

Symm.:

 P-31m(162)

Latt.:

 hexagonal

Spin:

 0.000

Eg/Eg':

2.619/2.540 eV

me/mh:

100.018/-1120.285

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