Geometry

Info

ID:

8018

ICSD:

150913

Name:

Copper oxide (1/2)

Comp.:

Cu1O2

Symm.:

 Amma(63)

Latt.:

 orthorhombic

Spin:

 3.451

Eg/Eg':

1.895/1.587 eV

me/mh:

36.806/-38.634

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