Geometry

Info

ID:

3040

ICSD:

281206

Name:

Yttrium barium iron iron(III) oxide - MV class III

Comp.:

Ba1Fe2O5Y1

Symm.:

Pmmm(47)

Latt.:

orthorhombic

Spin:

0.001

Eg/Eg':

2.784/1.947 eV

me/mh:

1.796/-10.004

K-data

high symmetry path:

G - Z - T - Y - S - R - U - X - G - Y

high symmetry points:

G: 0.0 0.0 0.0 S: -0.5 0.5 0.0 R: -0.5 0.5 0.5 U: 0.0 0.5 0.5 T: -0.5 0.0 0.5 Y: -0.5 0.0 0.0 X: 0.0 0.5 0.0 Z: 0.0 0.0 0.5

DOS

Bands