Geometry

Info

ID:

3631

ICSD:

55536

Name:

Tribarium oxide dinitridozincate

Comp.:

Ba3N2O1Zn1

Symm.:

 P4/mmm(123)

Latt.:

 tetragonal

Spin:

 0.000

Eg/Eg':

1.046/0.978 eV

me/mh:

6.759/17.150

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