Geometry

Info

ID:

13250

ICSD:

30433

Name:

Dinickel diphosphate(V) - beta

Comp.:

Ni2O7P2

Symm.:

C12/m1(12)

Latt.:

monoclinic

Spin:

7.862

Eg/Eg':

5.070/4.693 eV

me/mh:

5.639/-59.856

K-data

high symmetry path:

G - Y - V - G - A - M - L - V

high symmetry points:

A: 0.0 0.0 0.5 G: 0.0 0.0 0.0 M: 0.5 0.5 0.5 L: 0.5 0.0 0.5 V: 0.5 0.0 0.0 Y: 0.5 0.5 0.0

DOS

Bands