Geometry

Info

ID:

12480

ICSD:

36263

Name:

Molybdenum(IV) oxide

Comp.:

Mo1O2

Symm.:

 P1211(4)

Latt.:

 monoclinic

Spin:

 3.937

Eg/Eg':

0.855/0.175 eV

me/mh:

30.789/-263.932

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