Geometry

Info

ID:

1299

ICSD:

23826

Name:

Copper arsenic sulfide (1/1/1)

Comp.:

As1Cu1S1

Symm.:

 Pna21(33)

Latt.:

 orthorhombic

Spin:

 0.000

Eg/Eg':

0.837/0.587 eV

me/mh:

27.367/-12.207

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