Geometry

Info

ID:

5321

ICSD:

84868

Name:

Calcium copper oxide - II

Comp.:

Ca1Cu1O2

Symm.:

 P1211(4)

Latt.:

 monoclinic

Spin:

 0.002

Eg/Eg':

0.537/0.072 eV

me/mh:

-13.108/-159.519

K-data

high symmetry path:

G - Z - C - Y - G - B - D - E0 - A0 - Y

high symmetry points:

G: 0.0 0.0 0.0 C: 0.5 0.5 0.0 B: 0.0 0.0 0.5 D: 0.0 0.5 0.5 A0: 0.5 0.0 0.5 Y: 0.5 0.0 0.0 Z: 0.0 0.5 0.0 E0: 0.5 0.5 0.5

DOS

Bands