Geometry

Info

ID:	2976
ICSD:	241398
Name:	Yttrium barium copper iron pentaoxide
Comp.:	Ba1Cu1Fe1O5Y1
Symm.:	P4mm(99)
Latt.:	tetragonal
Spin:	0.002
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