Geometry

Info

ID:

3039

ICSD:

2769

Name:

Barium diiron(III) oxide - alpha, HT

Comp.:

Ba1Fe2O4

Symm.:

P6322(182)

Latt.:

hexagonal

Spin:

19.258

Eg/Eg':

2.392/None eV

me/mh:

3.169/-12.824

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