Geometry

Info

ID:

1666

ICSD:

239837

Name:

Pentacopper dioxide bis(arsenate(V))

Comp.:

As2Cu5O10

Symm.:

P-1(2)

Latt.:

triclinic

Spin:

2.847

Eg/Eg':

0.596/0.555 eV

me/mh:

567.876/-52.636

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