Geometry

Info

ID:

949

ICSD:

54066

Name:

Copper bis(tetrachloroaluminate)

Comp.:

Al2Cl8Cu1

Symm.:

P-1(2)

Latt.:

triclinic

Spin:

1.828

Eg/Eg':

0.969/0.969 eV

me/mh:

2864.889/-65.703

K-data

high symmetry path:

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

high symmetry points:

G: 0.0 0.0 0.0 R: 0.5 0.5 0.5 U: 0.5 0.0 0.5 T: 0.0 0.5 0.5 V: 0.5 0.5 0.0 Y: 0.0 0.5 0.0 X: 0.5 0.0 0.0 Z: 0.0 0.0 0.5

DOS

Bands