Geometry

Info

ID:

12604

ICSD:

192274

Name:

Tantalum oxide nitride

Comp.:

N1O1Ta1

Symm.:

 C12/m1(12)

Latt.:

 monoclinic

Spin:

 0.000

Eg/Eg':

2.456/2.259 eV

me/mh:

-14.668/-39.957

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