Geometry

Info

ID:

9111

ICSD:

412741

Name:

Iron(III) phosphate(V) - alpha

Comp.:

Fe1O4P1

Symm.:

 P3121(152)

Latt.:

 hexagonal

Spin:

 14.480

Eg/Eg':

5.199/4.974 eV

me/mh:

2.356/-22.792

K-data

high symmetry path:

G - A - L - M - G - K - H - A

high symmetry points:

A: 0.0 0.0 0.5 G: 0.0 0.0 0.0 H: -0.333 0.667 0.5 K: -0.333 0.667 0.0 M: 0.0 0.5 0.0 L: 0.0 0.5 0.5

DOS

Bands