Geometry

Info

ID:

5292

ICSD:

246417

Name:

Calcium chloride

Comp.:

Ca1Cl2

Symm.:

 P42/mnm(136)

Latt.:

 tetragonal

Spin:

 0.000

Eg/Eg':

5.363/None eV

me/mh:

23.132/777.987

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