Geometry

Info

ID:

5537

ICSD:

74539

Name:

Calcium diantimonate

Comp.:

Ca1O6Sb2

Symm.:

 P-31m(162)

Latt.:

 hexagonal

Spin:

 0.000

Eg/Eg':

3.026/2.719 eV

me/mh:

2.378/-489.322

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