“…To validate the representativeness of the ab initio configuration and the properties predicted directly by ab initio calculations, a high-throughput synthesis and characterization route is required. To explore a large compositional range, the use of sample libraries with spatially resolved analysis techniques has been proven efficient (Sakurai et al, 2007.;Deng et al, 2007;Li et al, 2008Li et al, , 2019Aono et al, 2010Aono et al, , 2011Guo et al, 2011;Sakurai et al, 2011;Wang et al, 2011;Ding et al, 2012Ding et al, , 2014Gregoire et al, 2012;Flores, 2014, 2016;Liu et al, 2016; FIGURE 1 | Pair distribution function g(r) of experimentally and ab initio calculated Co 45.5 Fe 24 Ta 6 B 24.5 . Inset: structure factor S(q) of the experimental sample (Hostert et al, 2011).…”