Geometry

Info

ID:

8338

ICSD:

89657

Name:

Dithallium(III) tricopper hexakis(selenate(IV))

Comp.:

Cu3O18Se6Tl2

Symm.:

P-1(2)

Latt.:

triclinic

Spin:

0.959

Eg/Eg':

0.455/0.319 eV

me/mh:

116.229/196.619

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