Geometry

Info

ID:

7787

ICSD:

245493

Name:

Hemicopper titanium oxo tetraoxophosphate(V)

Comp.:

Cu0.5O5P1Ti1

Symm.:

P121/c1(14)

Latt.:

monoclinic

Spin:

1.938

Eg/Eg':

2.361/None eV

me/mh:

74.786/-55.535

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