Geometry

Info

ID:

1602

ICSD:

81064

Name:

Calcium diarsenate(V)

Comp.:

As2Ca1O6

Symm.:

 P-31m(162)

Latt.:

 hexagonal

Spin:

 0.000

Eg/Eg':

3.626/3.275 eV

me/mh:

3.419/-86.776

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