Geometry

Info

ID:

2972

ICSD:

183712

Name:

Barium copper fluoride sulfide

Comp.:

Ba1Cu1F1S1

Symm.:

 P4/nmmZ(129)

Latt.:

 tetragonal

Spin:

 0.000

Eg/Eg':

2.118/None eV

me/mh:

4.669/-7.714

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