Geometry

Info

ID:

12823

ICSD:

65703

Name:

Dinatrium nickel zirconium bis(diphosphate(V))

Comp.:

Na2Ni1O14P4Zr1

Symm.:

P1(1)

Latt.:

triclinic

Spin:

1.961

Eg/Eg':

4.020/4.010 eV

me/mh:

119.060/-34.148

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