Geometry

Info

ID:	3479
ICSD:	67711
Name:	Yttrium dibarium triiron(III) oxide
Comp.:	Ba2Fe3O8Y1
Symm.:	P4/mmm(123)
Latt.:	tetragonal
Spin:	0.003
E_g/E_g':	None/None eV
m_e/m_h:	None/None

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