Initial candidate structures are generated using a grid density H = 1.2 Å-1 and minimum atom distance d tol = 2.0 Å. At this resolution, five compounds are found to have too large a configuration space for the AXS algorithm to be applied at reasonable computational cost. As a result, AXS "fails" for the following To assess the capabilities of AXS in the presence of greater computational resources, we systematically increase the resolution of the initial candidate set. At H = 2.0 Å-1 and d tol = 2.0 Å, 10 additional structures are successfully solved; at H = 2.0 Å-1 and d tol = 1.5 Å, 14 additional structures are successfully solved; and at H = 5.0 Å-1 and d tol = 1.0 Å, 4 additional structures are solved. In total, the correct solution is found by AXS for 91 out of 99 of the structures in the dataset. These results are summarized in Figure . Apart from the five compounds mentioned earlier, whose symmetries result in too large an initial configuration space, three additional structures (Cd 3 I 6 , Zr 3 Si 8 , and Nb 3 S 6 ) are not solved by our AXS workflow. These structures are observed to have good structural matches within the initial generated structure space, but noise in the R-values leads to a deprioritization of these close-match structures when filtering before DFT calculations are performed.