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Finding viable superconducting materials is of interest to the physicscommunity as the superconductors are the playground to manifest many appealingquantum phenomena. This work exemplifies an end-to-end materials discoverytowards novel MgB2-like superconductors, starting from the data-driven compoundscreening all the way to the experimental materialization. In addition to theknown superconducting compounds, CaB2 (Tc = 9.4 ~ 28.6 K), SrGa2 (Tc = 0.1 ~2.4 K), BaGa2 (Tc = 0.3 ~ 3.3 K), BaAu2 (Tc = 0.0 ~ 0.5 K), and LaCu2 (Tc = 0.1~ 2.2 K) are newly discovered, out of ~182,000 starting structures, to be themost promising superconducting compounds that share similar atomic structureswith MgB2. Moreover, BaGa2 is experimentally synthesized and measured toconfirm that the compound is a BCS superconductor with Tc = 0.36 K, in goodagreement with our theoretical predictions. This work provides a "once and forall" study for the MgB2-like superconductors and showcases that it is feasibleto discover new materials via a data-driven approach.

Superconductive materials with MgB2-like structures from data-driven screening