The structural and electronic parameters of H₂-Ga(In)Bi with vacancy defects; lattice constant (l); bond length (d) marked in the structure of Fig. 2; binding energy (E_b); formation energy (E_form); bandgap (E_gap), M refers to metallic.

System	GaBi			InBi
Defects	VBi	VGa	VGaBi	VBi	VIn	VInBi
E b (eV per atom)	3.214	3.252	3.119	3.076	3.118	2.987
E form (eV)	1.91	0.47	1.47	1.55	0.30	1.15
E gap (eV)	0.19	M	0.15	0.21	M	0.19
l (Å)	17.89	18.08	18.17	19.11	19.17	19.34
d (Å)	a = 3.06, b = 2.88	a = 3.89, b = 2.78	a = 3.26, b = 3.06, c = 2.75, d = 3.00, e = 2.60	a = 3.41, b = 3.04	a = 3.96, b = 2.95	a = 3.22, b = 3.50, c = 2.92, d = 3.18, e = 2.93