Table 1.

Calculated reaction energies (ΔE=∑E_products−∑E_reactants), independent equilibrium constants (300 K) and concentrations for Schottky disorder in CH₃NH₃PbI₃. For partial disorder the chemical potentials are taken to be pinned to the formation of PbI₂ and CH₃NH₃I, respectively. The values of K_C (%) are normalized to the site fraction of vacancies, and n refers to the vacancy defect concentration

Reaction	ΔHS [eV per defect]	KC	n [cm−3]
nil→+3+MAPbI3	0.14	0.41	2×1019
nil→++MAI	0.08	3.82	2×1020
nil→+2+PbI2	0.22	0.02	8×1017