Geometry

Info

ID:	577
ICSD:	69563
Name:	Calcium pentafluoroaluminate - alpha
Comp.:	Al1Ca1F5
Symm.:	C12/c1(15)
Latt.:	monoclinic
Spin:	0.000
E_g/E_g':	7.187/None eV
m_e/m_h:	8.574/309.888

K-data

high symmetry path:

G - Y - V - G - A - M - L - V

high symmetry points:

A: 0.0 0.0 0.5 G: 0.0 0.0 0.0 M: 0.5 0.5 0.5 L: 0.5 0.0 0.5 V: 0.5 0.0 0.0 Y: 0.5 0.5 0.0

DOS

Bands