Geometry

Info

ID:

5139

ICSD:

424762

Name:

Tribarium dicyano monopercyano iridate(III)

Comp.:

C3Ba3Ir1N3

Symm.:

P63/m(176)

Latt.:

hexagonal

Spin:

0.000

Eg/Eg':

1.244/0.695 eV

me/mh:

16.089/-10.949

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