Dataset supporting the paper "Molecular spin-probe sensing of H-mediated changes in Co nanomagnets". Science Advances 11, eads1456 (2025) DOI: https://doi.org/10.1126/sciadv.ads1456

Dataset corresponding to theoretical calculations in the paper "Molecular spin-probe sensing of H-mediatedchanges in Co nanomagnets". Science Advances 11, eads1456 (2025) DOI: https://doi.org/10.1126/sciadv.ads1456 Please cite as: Alex Fétida, Olivier Bengone, Christine Goyhenex, Fabrice Scheurer, Roberto Robles, Nicolás Lorente,and Laurent Limot. Dataset supporting the paper "Molecular spin-probe sensing of H-mediatedchanges in Co nanomagnets. Science Advances 11, eads1456 (2025)" DOI: 10.5281/zenodo.17186371 List of files: Several folders corresponding to the figures of the paper. They contain:CONTCAR files: relaxed structures in VASP format. They can be visualized with VESTA (https://jp-minerals.org/vesta/en/)..agr: grace files (https://plasma-gate.weizmann.ac.il/Grace/).