Geometry

Info

ID:

4960

ICSD:

411251

Name:

Cesium gold acetylide

Comp.:

C2Au1Cs1

Symm.:

 P4/mmm(123)

Latt.:

 tetragonal

Spin:

 0.000

Eg/Eg':

2.069/2.055 eV

me/mh:

12.395/-20.285

K-data

high symmetry path:

G - X - M - G - Z - R - A - Z

high symmetry points:

A: 0.5 0.5 0.5 G: 0.0 0.0 0.0 M: 0.5 0.5 0.0 R: 0.0 0.5 0.5 X: 0.0 0.5 0.0 Z: 0.0 0.0 0.5

DOS

Bands