Geometry

Info

ID:

5031

ICSD:

189824

Name:

Cesium rubidium acetylide

Comp.:

C2Cs1Na1

Symm.:

 Pbcm(57)

Latt.:

 orthorhombic

Spin:

 0.000

Eg/Eg':

3.354/3.323 eV

me/mh:

5.649/-77.712

K-data

high symmetry path:

G - Z - T - Y - S - R - U - X - G - Y

high symmetry points:

G: 0.0 0.0 0.0 S: -0.5 0.5 0.0 R: -0.5 0.5 0.5 U: 0.0 0.5 0.5 T: -0.5 0.0 0.5 Y: -0.5 0.0 0.0 X: 0.0 0.5 0.0 Z: 0.0 0.0 0.5

DOS

Bands