Geometry

Info

ID:

2902

ICSD:

15174

Name:

Barium calcium tetrairon(III) oxide

Comp.:

Ba1Ca1Fe4O8

Symm.:

P-31m(162)

Latt.:

hexagonal

Spin:

19.258

Eg/Eg':

3.104/None eV

me/mh:

2.375/-18.912

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