Geometry

Info

ID:

7745

ICSD:

424578

Name:

Tricesium dioxonickelate(I)

Comp.:

Cs3Ni1O2

Symm.:

 P42/mnm(136)

Latt.:

 tetragonal

Spin:

 2.171

Eg/Eg':

1.710/None eV

me/mh:

-31.046/299.762

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