Geometry

Info

ID:

4962

ICSD:

411253

Name:

Lithium gold acetylide

Comp.:

C2Au1Li1

Symm.:

 P-6m2(187)

Latt.:

 hexagonal

Spin:

 0.000

Eg/Eg':

2.022/1.670 eV

me/mh:

-73.629/-18.797

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