Geometry

Info

ID:	3036
ICSD:	262132
Name:	Barium iron(IV) trioxide
Comp.:	Ba1Fe1O3
Symm.:	Pm-3m(221)
Latt.:	cubic
Spin:	4.259
E_g/E_g':	None/None eV
m_e/m_h:	None/None

K-data

high symmetry path:

G - M - R - X - G - R

high symmetry points:

G: 0.0 0.0 0.0 R: 0.5 0.5 0.5 M: 0.5 0.5 0.0 X: 0.0 0.5 0.0

DOS

Bands