Geometry

Info

ID:	4989
ICSD:	261703
Name:	Barium oxalate - alpha
Comp.:	C2Ba1O4
Symm.:	P-1(2)
Latt.:	triclinic
Spin:	0.000
E_g/E_g':	3.549/3.542 eV
m_e/m_h:	-731.733/-611.138

K-data

high symmetry path:

G - Z - T - Y - G - X - V - R - U

high symmetry points:

G: 0.0 0.0 0.0 R: 0.5 0.5 0.5 U: 0.5 0.0 0.5 T: 0.0 0.5 0.5 V: 0.5 0.5 0.0 Y: 0.0 0.5 0.0 X: 0.5 0.0 0.0 Z: 0.0 0.0 0.5

DOS

Bands