Table 2.

Six selected HOIPs with relevant statistics

HOIPs	T f	O f	EMLg(eV)	EgPBE(eV)	$\Delta {E_{{\mathbf{H}}_{\mathbf{2}}\mathbf{O}}}_{\mathbf{a}ds}$($\mathbf{e}V$)	$\Delta {E_{{\mathbf{O}}_{\mathbf{2}}}}_{\mathbf{ads}}$($\mathbf{e}V$)
C2H5OInBr3	1.04	0.50	0.90	0.91	−0.301	−0.071
C2H6NInBr3	1.04	0.50	0.97	1.07	−0.630	−0.152
NH3NH2InBr3	0.99	0.50	1.06	1.09	−0.497	−0.110
C2H5OSnBr3	0.99	0.57	1.10	1.05	−0.163	−0.071
NH4InBr3	0.82	0.50	1.18	1.13	−0.566	−0.090
C2H6NSnBr3	0.99	0.57	1.22	1.14	−0.134	−0.093

T_f and O_f is tolerance factor and octahedral factor respectively. E_g^MLand E_g^PBE are ML-predicted and DFT-calculated results respectively. ΔE_g is the absolute value of the difference between E_g^ML and E_g^PBE. ΔE_H2O ads and ΔE_O2 ads is the adsorption energy of H₂O and O₂, respectively