Geometry

Info

ID:

5691

ICSD:

152447

Name:

Dicalcium niccoloosmate

Comp.:

Ca2Ni1O6Os1

Symm.:

 P121/n1(14)

Latt.:

 monoclinic

Spin:

 0.348

Eg/Eg':

1.862/1.720 eV

me/mh:

225.833/-456.316

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