Geometry

Info

ID:

13510

ICSD:

647637

Name:

Vanadium dioxide

Comp.:

O2V1

Symm.:

 P42/mnm(136)

Latt.:

 tetragonal

Spin:

 1.939

Eg/Eg':

1.140/1.025 eV

me/mh:

10.516/-15.835

K-data

high symmetry path:

G - X - M - G - Z - R - A - Z

high symmetry points:

A: 0.5 0.5 0.5 G: 0.0 0.0 0.0 M: 0.5 0.5 0.0 R: 0.0 0.5 0.5 X: 0.0 0.5 0.0 Z: 0.0 0.0 0.5

DOS

Bands