Geometry

Info

ID:

13294

ICSD:

281705

Name:

Trinickel bis(phosphate(V))

Comp.:

Ni3O8P2

Symm.:

 P121/c1(14)

Latt.:

 monoclinic

Spin:

 11.831

Eg/Eg':

4.380/4.367 eV

me/mh:

-90.544/-26.111

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