Geometry

Info

ID:

13507

ICSD:

1503

Name:

Vanadium(IV) oxide - Al-doped

Comp.:

O2V1

Symm.:

 P12/m1(10)

Latt.:

 monoclinic

Spin:

 3.820

Eg/Eg':

1.407/1.380 eV

me/mh:

67.662/-491.132

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