Geometry

Info

ID:

2453

ICSD:

655673

Name:

Trilithium dinitridoborate

Comp.:

B1Li3N2

Symm.:

 P42212(94)

Latt.:

 tetragonal

Spin:

 0.000

Eg/Eg':

4.092/3.636 eV

me/mh:

-331.473/-12.741

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