Geometry

Info

ID:

5705

ICSD:

291608

Name:

Dicalcium scandium osmate

Comp.:

Ca2O6Os1Sc1

Symm.:

 P121/n1(14)

Latt.:

 monoclinic

Spin:

 5.465

Eg/Eg':

2.502/2.478 eV

me/mh:

-226.234/-30.723

K-data

high symmetry path:

G - Z - C - Y - G - B - D - E0 - A0 - Y

high symmetry points:

G: 0.0 0.0 0.0 C: 0.5 0.5 0.0 B: 0.0 0.0 0.5 D: 0.0 0.5 0.5 A0: 0.5 0.0 0.5 Y: 0.5 0.0 0.0 Z: 0.0 0.5 0.0 E0: 0.5 0.5 0.5

DOS

Bands