Geometry

Info

ID:

8259

ICSD:

60653

Name:

Dicopper oxide selenate(IV) - monoclinic

Comp.:

Cu2O4Se1

Symm.:

P121/n1(14)

Latt.:

monoclinic

Spin:

3.836

Eg/Eg':

0.375/None eV

me/mh:

118.629/-27.326

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