Geometry

Info

ID:

948

ICSD:

80107

Name:

Copper bis(tetrachloroaluminate)

Comp.:

Al2Cl8Cu1

Symm.:

P121/c1(14)

Latt.:

monoclinic

Spin:

1.827

Eg/Eg':

0.971/None eV

me/mh:

-1161.119/-71.696

K-data

high symmetry path:

G - Z - C - Y - G - B - D - E0 - A0 - Y

high symmetry points:

G: 0.0 0.0 0.0 C: 0.5 0.5 0.0 B: 0.0 0.0 0.5 D: 0.0 0.5 0.5 A0: 0.5 0.0 0.5 Y: 0.5 0.0 0.0 Z: 0.0 0.5 0.0 E0: 0.5 0.5 0.5

DOS

Bands