Geometry

Info

ID:

5239

ICSD:

414021

Name:

Copper pentacyanonitrosylferrate(II)

Comp.:

C5Cu1Fe1N6O1

Symm.:

 I4mm(107)

Latt.:

 tetragonal

Spin:

 2.086

Eg/Eg':

1.157/None eV

me/mh:

-64.113/-97.173

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