Geometry

Info

ID:

3473

ICSD:

246544

Name:

Barium iron(III) molybdenum(V) oxide (2/1/1/6)

Comp.:

Ba2Fe1Mo1O6

Symm.:

 I4/mmm(139)

Latt.:

 tetragonal

Spin:

 7.924

Eg/Eg':

3.143/3.107 eV

me/mh:

13.614/-15.523

K-data

high symmetry path:

G - X - P - N - G - Z

high symmetry points:

G: 0.0 0.0 0.0 Z: 0.5 0.5 -0.5 N: 0.0 0.5 0.0 P: 0.25 0.25 0.25 X: 0.0 0.0 0.5

DOS

Bands