Geometry

Info

ID:

3630

ICSD:

421322

Name:

Tribarium dodecaoxodinitridohexasilicate

Comp.:

Ba3N2O12Si6

Symm.:

P-3(147)

Latt.:

hexagonal

Spin:

0.000

Eg/Eg':

4.885/4.624 eV

me/mh:

-82.624/4063.520

K-data

high symmetry path:

G - A - L - M - G - K - H - A

high symmetry points:

A: 0.0 0.0 0.5 G: 0.0 0.0 0.0 H: -0.333 0.667 0.5 K: -0.333 0.667 0.0 M: 0.0 0.5 0.0 L: 0.0 0.5 0.5

DOS

Bands