Geometry

Info

ID:

9305

ICSD:

36208

Name:

Iron diphosphate

Comp.:

Fe2O7P2

Symm.:

 C-1(2)

Latt.:

 triclinic

Spin:

 15.526

Eg/Eg':

4.388/4.048 eV

me/mh:

4.105/-28.959

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