Geometry

Info

ID:

3718

ICSD:

94063

Name:

Dicalcium beryllium disilicate

Comp.:

Be1Ca2O7Si2

Symm.:

 P-421m(113)

Latt.:

 tetragonal

Spin:

 0.000

Eg/Eg':

5.228/4.986 eV

me/mh:

-103.881/478.195

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