Geometry

Info

ID:	3035
ICSD:	50869
Name:	Barium iron oxide (1/1/2.25) - 6H
Comp.:	Ba1Fe1O3
Symm.:	P63/mmc(194)
Latt.:	hexagonal
Spin:	23.677
E_g/E_g':	None/None eV
m_e/m_h:	None/None

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