Geometry

Info

ID:

933

ICSD:

172780

Name:

Calcium dialuminium oxide

Comp.:

Al2Ca1O4

Symm.:

 P121/m1(11)

Latt.:

 monoclinic

Spin:

 0.000

Eg/Eg':

4.959/4.954 eV

me/mh:

-17.870/-76.008

K-data

high symmetry path:

G - Z - C - Y - G - B - D - E0 - A0 - Y

high symmetry points:

G: 0.0 0.0 0.0 C: 0.5 0.5 0.0 B: 0.0 0.0 0.5 D: 0.0 0.5 0.5 A0: 0.5 0.0 0.5 Y: 0.5 0.0 0.0 Z: 0.0 0.5 0.0 E0: 0.5 0.5 0.5

DOS

Bands