Geometry

Info

ID:

9005

ICSD:

191281

Name:

Dipotassium iron pyrophosphate

Comp.:

Fe1K2O7P2

Symm.:

 P-421m(113)

Latt.:

 tetragonal

Spin:

 7.722

Eg/Eg':

4.060/3.952 eV

me/mh:

86.913/42.304

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