Geometry

Info

ID:

116

ICSD:

165596

Name:

Silver copper phosphate(V) - alpha, LT

Comp.:

Ag1Cu1O4P1

Symm.:

P121/c1(14)

Latt.:

monoclinic

Spin:

3.862

Eg/Eg':

0.349/0.308 eV

me/mh:

-159.211/-103.702

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