Table 2. The number of broken bonds, bond broken energies, deformation energies, and formation energies of most stable vacancies M-BP per vacancy.

Vacancies (eV)	N	Ebb	Edf	Ef
V1	3/1	2.36	−0.36	2.00
V1−3	5/2	1.51	−0.79	0.72
V1−3−11	7/3	1.29	−0.61	0.68