Geometry

Info

ID:

2153

ICSD:

39315

Name:

Calcium bis(hexafluoroaurate(V))

Comp.:

Au2Ca1F12

Symm.:

 P-4(81)

Latt.:

 tetragonal

Spin:

 0.000

Eg/Eg':

1.672/None eV

me/mh:

19.581/-31.364

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