and was sampled with a Γ-centered 2 × 2 × 2 k-point mesh. The lattice parameters of this supercell were a = 13.41 Å, b = 11.84 Å, c = 12.97 Å and angles α = 90.0 • , β = 78.4 • , γ = 90.0 • . To aid the search for the ground state structures, the ShakeNBreak package was used to find any energy-lowering reconstructions at defect sites. In order to account for spurious interactions between charged defects and their periodic image in the DFT supercell approach, the eFNV charge correction scheme was employed. Defect concentrations were determined through the calculation of the self-consistent Fermi level as implemented in py-sc-fermi. Many-body perturbation theory calculations were performed within the Questaal package, 62 using the QSGW method of Kotani et al. together with the modification to include ladder diagrams within the screened Coulomb interaction W, herein referred to as QSG Ŵ. The HSE06 ground state structure was used throughout.