Geometry

Info

ID:

1313

ICSD:

420017

Name:

Potassium tetracopper arsenic tetrasulfide

Comp.:

As1Cu4K1S4

Symm.:

P1211(4)

Latt.:

monoclinic

Spin:

0.000

Eg/Eg':

1.376/1.301 eV

me/mh:

-417.455/-22.418

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