Geometry

Info

ID:

6575

ICSD:

183024

Name:

Trisodium hexachloromolybdate(III)

Comp.:

Cl6Mo1Na3

Symm.:

P-31c(163)

Latt.:

hexagonal

Spin:

5.297

Eg/Eg':

2.355/2.335 eV

me/mh:

-394.163/207.791

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