Geometry

Info

ID:

8016

ICSD:

96699

Name:

Copper oxide (1/2)

Comp.:

Cu1O2

Symm.:

 F12/m1(12)

Latt.:

 monoclinic

Spin:

 3.474

Eg/Eg':

1.568/1.039 eV

me/mh:

11.716/-9.597

K-data

high symmetry path:

G - Y - V - G - A - M - L - V

high symmetry points:

A: 0.0 0.0 0.5 G: 0.0 0.0 0.0 M: 0.5 0.5 0.5 L: 0.5 0.0 0.5 V: 0.5 0.0 0.0 Y: 0.5 0.5 0.0

DOS

Bands