Geometry

Info

ID:

3049

ICSD:

243728

Name:

Barium tetraferrate(III)

Comp.:

Ba1Fe4O7

Symm.:

 P-31c(163)

Latt.:

 hexagonal

Spin:

 38.685

Eg/Eg':

3.179/None eV

me/mh:

2.150/-17.074

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