Supplementary data: Structural dynamics of Fe active sites in FER during CO2 and CH4 conversion to oxygenates Bifunctional Fe sites in ferrierite enable CO2 and CH4 co-conversion to methanol and acetic acid

Supplementary data containing: - training database and fine-tuned MLIP based on MACE-MATPES-PBE-0- benchmarking data (DFT and various foundational MLIPs) for a set of Fe-FER and Fe-CHA systems- the low energy (< 0.3 eV) structures from the Minima Hopping simulations for all relevant Fe-FER systems discussed in the manuscript- python scripts for running Minima Hopping and MD simulations using fine-tuned MLIP model- DFT-optimized structures for a subset of relevant Fe-FER systems on which the Bader analysis is carried out