Geometry

Info

ID:

3095

ICSD:

50994

Name:

Barium hafnium nitride

Comp.:

Ba1Hf1N2

Symm.:

 P4/nmmZ(129)

Latt.:

 tetragonal

Spin:

 0.000

Eg/Eg':

1.839/1.779 eV

me/mh:

31.957/-3.456

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