Magnetism of transition-metal-doped tetrel nanoclusters: multi-reference character and spin–orbit effects in Sn12TM (TM = Cr, Mn, Fe)

"Curie-Daten" contains all of the beam profiles used to generate the data points in the Curie Plots. The files are labeled with their temperature. "Nanoscale-CAS" contains all of the CASSCF calculations with inputs outputs gbw files xyz files for every system with numerous variations.