Geometry

Info

ID:

5469

ICSD:

246082

Name:

Calcium molybdate(IV)

Comp.:

Ca1Mo1O3

Symm.:

 Pbnm(62)

Latt.:

 orthorhombic

Spin:

 7.825

Eg/Eg':

1.187/1.172 eV

me/mh:

-6782.975/63.979

K-data

high symmetry path:

G - Z - T - Y - S - R - U - X - G - Y

high symmetry points:

G: 0.0 0.0 0.0 S: -0.5 0.5 0.0 R: -0.5 0.5 0.5 U: 0.0 0.5 0.5 T: -0.5 0.0 0.5 Y: -0.5 0.0 0.0 X: 0.0 0.5 0.0 Z: 0.0 0.0 0.5

DOS

Bands