Geometry

Info

ID:

9119

ICSD:

155153

Name:

Iron diantimonate(III) - III

Comp.:

Fe1O4Sb2

Symm.:

P42/m(84)

Latt.:

tetragonal

Spin:

15.393

Eg/Eg':

0.978/0.897 eV

me/mh:

7.700/-29.728

K-data

high symmetry path:

G - X - M - G - Z - R - A - Z

high symmetry points:

A: 0.5 0.5 0.5 G: 0.0 0.0 0.0 M: 0.5 0.5 0.0 R: 0.0 0.5 0.5 X: 0.0 0.5 0.0 Z: 0.0 0.0 0.5

DOS

Bands