Geometry

Info

ID:

8671

ICSD:

251694

Name:

Niobium(III/IV) oxide fluoride (2/2/3)

Comp.:

F3Nb2O2

Symm.:

I12/a1(15)

Latt.:

monoclinic

Spin:

3.579

Eg/Eg':

0.445/0.172 eV

me/mh:

23.158/-74.699

K-data

high symmetry path:

G - Y - V - G - A - M - L - V

high symmetry points:

A: 0.0 0.0 0.5 G: 0.0 0.0 0.0 M: 0.5 0.5 0.5 L: 0.5 0.0 0.5 V: 0.5 0.0 0.0 Y: 0.5 0.5 0.0

DOS

Bands