Geometry

Info

ID:

8042

ICSD:

109073

Name:

Copper selenate(VI) - HP

Comp.:

Cu1O4Se1

Symm.:

 Cmcm(63)

Latt.:

 orthorhombic

Spin:

 3.851

Eg/Eg':

1.524/None eV

me/mh:

128.247/-64.911

K-data

high symmetry path:

R - S - G - Z - T - Y - G

high symmetry points:

G: 0.0 0.0 0.0 S: 0.0 0.5 0.0 R: 0.0 0.5 0.5 T: -0.5 0.5 0.5 Y: -0.5 0.5 0.0 Z: 0.0 0.0 0.5

DOS

Bands