Geometry

Info

ID:

3505

ICSD:

88153

Name:

Dibarium scandium iridium(V) oxide

Comp.:

Ba2Ir1O6Sc1

Symm.:

P121/n1(14)

Latt.:

monoclinic

Spin:

3.576

Eg/Eg':

2.333/None eV

me/mh:

769.631/161.115

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