Geometry

Info

ID:

7820

ICSD:

66546

Name:

Copper(I) ferrate(III)

Comp.:

Cu1Fe1O2

Symm.:

 P63/mmc(194)

Latt.:

 hexagonal

Spin:

 9.729

Eg/Eg':

2.220/1.926 eV

me/mh:

3.265/171.634

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