Geometry

Info

ID:

5146

ICSD:

151184

Name:

Hexafluoropropene

Comp.:

C3F6

Symm.:

 P-1(2)

Latt.:

 triclinic

Spin:

 0.000

Eg/Eg':

4.942/4.893 eV

me/mh:

340.151/-169.364

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