Geometry

Info

ID:

13119

ICSD:

33737

Name:

Nickel sulfate

Comp.:

Ni1O4S1

Symm.:

Cmcm(63)

Latt.:

orthorhombic

Spin:

7.878

Eg/Eg':

4.559/None eV

me/mh:

-14.329/42.888

K-data

high symmetry path:

R - S - G - Z - T - Y - G

high symmetry points:

G: 0.0 0.0 0.0 S: 0.0 0.5 0.0 R: 0.0 0.5 0.5 T: -0.5 0.5 0.5 Y: -0.5 0.5 0.0 Z: 0.0 0.0 0.5

DOS

Bands