Geometry

Info

ID:

4311

ICSD:

78819

Name:

Lithium trinitride bromide

Comp.:

Br1Li10N3

Symm.:

 P-6m2(187)

Latt.:

 hexagonal

Spin:

 0.000

Eg/Eg':

1.809/1.453 eV

me/mh:

427.829/215.958

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