Geometry

Info

ID:

12911

ICSD:

412972

Name:

Pentasodium niccolate(I) sulfide

Comp.:

Na5Ni1O2S1

Symm.:

 P4/mmm(123)

Latt.:

 tetragonal

Spin:

 1.089

Eg/Eg':

2.425/2.202 eV

me/mh:

9.893/-28.736

K-data

high symmetry path:

G - X - M - G - Z - R - A - Z

high symmetry points:

A: 0.5 0.5 0.5 G: 0.0 0.0 0.0 M: 0.5 0.5 0.0 R: 0.0 0.5 0.5 X: 0.0 0.5 0.0 Z: 0.0 0.0 0.5

DOS

Bands