Geometry

Info

ID:

8028

ICSD:

29508

Name:

Copper selenate(IV) - IV

Comp.:

Cu1O3Se1

Symm.:

P-1(2)

Latt.:

triclinic

Spin:

1.921

Eg/Eg':

0.396/0.338 eV

me/mh:

76.810/201.373

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