High-Throughput Screening MgFe₆Ge₆-Prototype Bilayer Kagome Family

Kagome materials host intertwined phenomena such as nontrivial band topology, superconductivity, and complex charge-density-wave (CDW) order, making them an important platform in condensed-matter physics and materials science. Motivated by extensive studies on AV₃Sb₅ family of materials, here, we perform high-throughput first-principles calculations to screen bilayer kagome AM₆X₆ compounds with the MgFe₆Ge₆-prototype structure as potential weak-coupling superconductors. We systematically evaluate the thermodynamic, dynamical, and magnetic stabilities, followed by electron–phonon coupling (EPC) calculations and superconducting transition-temperature estimates based on Allen-Dynes-modified McMillan equation. From 168 candidates, we identify 31 candidate weak-coupling superconductors that satisfy both thermodynamic and dynamical stability criteria in our screening workflow. Focusing on compounds without partially filled f shells, we obtain superconducting transition temperatures (T_c) in the range of 0.65 - 3.97 K with EPC constants λ = 0.37 - 0.62, indicating conventional weak-coupling superconductivity. The EPC is found to be primarily driven by vibrations within the kagome layers, and Sn-containing materials exhibit low-frequency soft modes that contribute significantly to λ. By providing a global mapping of stability and weak-coupling superconductivity in bilayer kagome AM₆X₆ compounds, this work offers a practical theoretical database and design principles for future experimental exploration.