Geometry

Info

ID:

4439

ICSD:

423829

Name:

Cesium nickel tribromide

Comp.:

Br3Cs1Ni1

Symm.:

 P63/mmc(194)

Latt.:

 hexagonal

Spin:

 3.683

Eg/Eg':

3.499/None eV

me/mh:

-45.370/29.376

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