Geometry

Info

ID:

13090

ICSD:

417788

Name:

Nickel titanium oxide phosphate (0.5/1/1/1)

Comp.:

Ni0.5O5P1Ti1

Symm.:

P121/c1(14)

Latt.:

monoclinic

Spin:

3.952

Eg/Eg':

3.145/3.117 eV

me/mh:

107.080/-261.693

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