In addition to these filters, which define types of molecules to be excluded from the final network, we further reduce the molecules in the network by removing redundant species. In LIBE, all molecules are unique based on the combination of their charge, spin multiplicity, and molecular connectivity. This means that there could be several molecules that differ only by spin multiplicity, or that differ only by the coordination environment of Li + ions (what we call "coordimers"). When this occurs (when there are multiple molecules with the same covalent connectivity and charge but potentially with different coordination environments or spin multiplicities), we include only that species with the lowest solvation-corrected free energy in the final filtered set of species S f iltered .