Geometry

Info

ID:

2344

ICSD:

27869

Name:

Boron chloride

Comp.:

B1Cl3

Symm.:

 P63/m(176)

Latt.:

 hexagonal

Spin:

 0.000

Eg/Eg':

4.899/4.742 eV

me/mh:

19.847/30.013

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