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This study investigates the facile hydride synthesis method guided by theoretical predictions to explore the K–T–Bi (T = Zn, Cd) phase spaces. Using an adaptive genetic algorithm (AGA) and density functional theory (DFT), candidate compositions are identified for experimental validation via a facile hydrides route, permitting experimental screening of K–Zn–Bi and “empty” K–Cd–Bi systems. The previously reported KZnBi and KZn₂Bi₂are synthesized alongside newly discovered KCdBi and KCd₂Bi₂. While the AGA and DFT predict the stability of these compounds, structural predictions align with the experiment only for KZnBi and KZn₂Bi₂. Single‐crystal X‐ray structure refinements confirm that KZnBi and KZn₂Bi₂adopt the hexagonal ZrBeSi‐ and tetragonal ThCr₂Si₂‐structure types, respectively. KCdBi has tetragonal PbClF‐structure type and KCd₂Bi₂belongs to the ThCr₂Si₂‐structure type. A trend based on the ratio of the metal ionic radii allows to rationalize variation in the structure types within theATBi family (A = Li–Cs), correctly identifying KCdBi as isostructural to NaZnBi. Thermal stability studied by high‐temperature powder X‐ray diffraction reveals that Zn‐containing compounds melt at higher temperatures (821 K for KZn₂Bi₂) than Cd‐containing KCd₂Bi₂(635 K). This study highlights the efficacy of combining rapid synthesis techniques with predictive modeling, though structural predictions show some limitations in accuracy.