The majority of GA searches in this work were performed using GA with pure DFT calculations (referred as GA_DFT in our previous work ). We evaluated multiple variations of the genetic algorithm as we filled the database. The final parameters and workflow were the same as we reported in reference , with some exceptions. First, we used a pool size of 10 and stopped the GA once the total number of clusters reached 1000. We also included "seeding" as a genetic operation in GA searches for sulfur clusters, with the ratios of pool clusters generated from seeding, mutation and crossover operations equal to 1:1:3. In the seeding operation, new structures are generated from seed structures which are typically known lowenergy structures with different numbers of atoms. Atoms are either randomly added or subtracted from the seed structure until it reaches the target size. Seeding was included for sulfur clusters more than 10 atoms to reduce the chance of clusters being relaxed into discontiguous forms. Low-energy sulfur clusters with N atoms were used to seed searches for clusters with N+1 to N+5 atoms. For large sulfur clusters with 52 and 53 atoms, we initialized them as zig-zag rings, as suggested by the morphology of stable small-size clusters, and then collected the ones that are contiguous after relaxed by DFT. We accelerated the GA search for sulfur clusters with 51, 52, and 53 atoms with on-the-fly active learning (termed as "GA_AL" in our previous work ).