Geometry

Info

ID:

6401

ICSD:

167455

Name:

Potassium nickel trichloride

Comp.:

Cl3K1Ni1

Symm.:

 P63cm(185)

Latt.:

 hexagonal

Spin:

 11.241

Eg/Eg':

3.990/None eV

me/mh:

5.994/-30.105

K-data

high symmetry path:

G - A - L - M - G - K - H - A

high symmetry points:

A: 0.0 0.0 0.5 G: 0.0 0.0 0.0 H: -0.333 0.667 0.5 K: -0.333 0.667 0.0 M: 0.0 0.5 0.0 L: 0.0 0.5 0.5

DOS

Bands