Geometry

Info

ID:

10469

ICSD:

36110

Name:

Sodium dimercury dioxide iodide

Comp.:

Hg2I1Na1O2

Symm.:

P6222(180)

Latt.:

hexagonal

Spin:

0.000

Eg/Eg':

1.571/1.392 eV

me/mh:

-18.055/92.441

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