Geometry

Info

ID:

8004

ICSD:

245202

Name:

Copper dinickel bis(phosphate(V))

Comp.:

Cu1Ni2O8P2

Symm.:

P121/n1(14)

Latt.:

monoclinic

Spin:

9.750

Eg/Eg':

4.022/3.662 eV

me/mh:

4.748/-39.619

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