Dataset for: The effects of CuFe catalyst structure and composition on higher alcohol selectivity: a combined experimental and computational study

This is the dataset for the article "The effects of CuFe catalyst structure and composition on higher alcohol selectivity: a combined experimental and computational study". Includes adsorption structures and transition states of small (C1-C3) molecules relevant for higher alcohol synthesis on a CuFe(211) surface. All structures are in the ASE traj format.