Geometry

Info

ID:

6596

ICSD:

39529

Name:

Iron(III) selenium chloride

Comp.:

Cl7Fe1Se1

Symm.:

 P1(1)

Latt.:

 triclinic

Spin:

 9.122

Eg/Eg':

2.188/2.182 eV

me/mh:

388.185/-800.198

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