Geometry

Info

ID:

5037

ICSD:

172335

Name:

Copper bis(trifluormethylsulfonate)

Comp.:

C2Cu1F6O6S2

Symm.:

P-1(2)

Latt.:

triclinic

Spin:

0.958

Eg/Eg':

6.027/5.521 eV

me/mh:

-22.638/42.992

K-data

high symmetry path:

G - Z - T - Y - G - X - V - R - U

high symmetry points:

G: 0.0 0.0 0.0 R: 0.5 0.5 0.5 U: 0.5 0.0 0.5 T: 0.0 0.5 0.5 V: 0.5 0.5 0.0 Y: 0.0 0.5 0.0 X: 0.5 0.0 0.0 Z: 0.0 0.0 0.5

DOS

Bands