Geometry

Info

ID:

5311

ICSD:

411743

Name:

Calcium chromium(II) diphosphate(V)

Comp.:

Ca1Cr1O7P2

Symm.:

P-1(2)

Latt.:

triclinic

Spin:

7.556

Eg/Eg':

3.057/2.997 eV

me/mh:

47.345/-951.051

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