Geometry

Info

ID:

7535

ICSD:

423830

Name:

Cesium nickel triiodide

Comp.:

Cs1I3Ni1

Symm.:

 P63/mmc(194)

Latt.:

 hexagonal

Spin:

 3.475

Eg/Eg':

2.768/2.586 eV

me/mh:

103.669/41.036

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