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Supplementary Online Material

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posted on 2024-06-03, 04:02 authored by Zhenkun Yuan, Geoffroy Hautier
See the supplementary material for more computational details, local geometry of the defects (Figs. S1-S5), defect transition-level values (Table S1), single-particle defect states in the CaO band gap (Figs. S6-S8), and defect concentrations (Table S2).

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