Geometry

Info

ID:

8432

ICSD:

1292

Name:

Copper dioxide bis(phosphate(V))

Comp.:

Cu5O10P2

Symm.:

P-1(2)

Latt.:

triclinic

Spin:

0.953

Eg/Eg':

0.303/0.288 eV

me/mh:

184.007/-142.740

K-data

high symmetry path:

G - Z - T - Y - G - X - V - R - U

high symmetry points:

G: 0.0 0.0 0.0 R: 0.5 0.5 0.5 U: 0.5 0.0 0.5 T: 0.0 0.5 0.5 V: 0.5 0.5 0.0 Y: 0.0 0.5 0.0 X: 0.5 0.0 0.0 Z: 0.0 0.0 0.5

DOS

Bands