Al and Ga Doping: Both dopants show very similar results preferring Li 8a substitution at the E F with formation energies of ∼ 0.62 eV and ∼ 1.66 eV for Al and Ga respectively (Figures )). The Al(Ga) ′ Zr defects have the second lowest formation energies of ∼ 1.72 eV (∼ 2.31 eV) followed by Al(Ga)