Geometry

Info

ID:

7294

ICSD:

15306

Name:

Ditantalum chromium(II) oxide

Comp.:

Cr1O6Ta2

Symm.:

P42/mnm(136)

Latt.:

tetragonal

Spin:

7.601

Eg/Eg':

0.444/0.379 eV

me/mh:

23.642/-5.224

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