Geometry

Info

ID:

1245

ICSD:

901

Name:

Dicopper arsenate(V) chloride

Comp.:

As1Cl1Cu2O4

Symm.:

P121/m1(11)

Latt.:

monoclinic

Spin:

0.009

Eg/Eg':

0.201/0.135 eV

me/mh:

52.241/-2572.225

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