Geometry

Info

ID:

5659

ICSD:

65216

Name:

Calcium nitride iodide

Comp.:

Ca2I1N1

Symm.:

 P63/mmc(194)

Latt.:

 hexagonal

Spin:

 0.000

Eg/Eg':

2.439/2.355 eV

me/mh:

35.481/434.935

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