Geometry

Info

ID:

5638

ICSD:

72389

Name:

Dicalcium dinitridoferrate(II)

Comp.:

Ca2Fe1N2

Symm.:

C12/m1(12)

Latt.:

monoclinic

Spin:

7.400

Eg/Eg':

0.408/0.387 eV

me/mh:

46.993/-32.745

K-data

high symmetry path:

G - Y - V - G - A - M - L - V

high symmetry points:

A: 0.0 0.0 0.5 G: 0.0 0.0 0.0 M: 0.5 0.5 0.5 L: 0.5 0.0 0.5 V: 0.5 0.0 0.0 Y: 0.5 0.5 0.0

DOS

Bands