Geometry

Info

ID:

8143

ICSD:

627355

Name:

Dicopper iron tetrathiosilicate

Comp.:

Cu2Fe1S4Si1

Symm.:

Pmn21(31)

Latt.:

orthorhombic

Spin:

7.193

Eg/Eg':

1.621/None eV

me/mh:

6.758/-18.916

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