Geometry

Info

ID:

5012

ICSD:

380469

Name:

Cesium dicyanonickel chloride

Comp.:

C2Cl1Cs1N2Ni1

Symm.:

 I4/mmm(139)

Latt.:

 tetragonal

Spin:

 3.908

Eg/Eg':

1.442/1.432 eV

me/mh:

17.952/-16.397

K-data

high symmetry path:

G - X - P - N - G - Z

high symmetry points:

G: 0.0 0.0 0.0 Z: 0.5 0.5 -0.5 N: 0.0 0.5 0.0 P: 0.25 0.25 0.25 X: 0.0 0.0 0.5

DOS

Bands