Geometry

Info

ID:

3541

ICSD:

72625

Name:

Dibarium vanadate(IV)

Comp.:

Ba2O4V1

Symm.:

 P121/n1(14)

Latt.:

 monoclinic

Spin:

 3.769

Eg/Eg':

1.561/1.518 eV

me/mh:

54.661/424.347

K-data

high symmetry path:

G - Z - C - Y - G - B - D - E0 - A0 - Y

high symmetry points:

G: 0.0 0.0 0.0 C: 0.5 0.5 0.0 B: 0.0 0.0 0.5 D: 0.0 0.5 0.5 A0: 0.5 0.0 0.5 Y: 0.5 0.0 0.0 Z: 0.0 0.5 0.0 E0: 0.5 0.5 0.5

DOS

Bands