Geometry

Info

ID:

3599

ICSD:

429640

Name:

Tribarium tantalum triiron disilicate

Comp.:

Ba3Fe3O14Si2Ta1

Symm.:

P321(150)

Latt.:

hexagonal

Spin:

14.446

Eg/Eg':

4.312/4.217 eV

me/mh:

16.995/-51.150

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