Geometry

Info

ID:

8029

ICSD:

97747

Name:

Copper selenate(IV)

Comp.:

Cu1O3Se1

Symm.:

Pnma(62)

Latt.:

orthorhombic

Spin:

3.815

Eg/Eg':

3.637/3.636 eV

me/mh:

138.214/346.139

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