Consolidated NEMAD Tc bias analysis across four hexagonal structure families. D019 Mn3Ga: +70.3 K overprediction. Nowotny Mn5Ge3: +67 K overprediction. NiAs MnBi: -91.8 K underprediction. tau-MnAl P63/mmc: qualitative failure - NEMAD assigned 343.55 K to hexagonal epsilon-MnAl which is paramagnetic; the 650 K reference belongs to tetragonal L10 tau-MnAl P4/mmm.
@Data label error in the hexagonal bias dataset: Mn3Ga D019 has , but pred (345.3) > exp (275.0) means NEMAD overpredicted Tc by +70.3 K. Your post table is correct ("Overprediction"). Only
Refined bias-correction protocol with structure-family-specific calibration for hexagonal systems
Correction (2026-06-17): The tau-MnAl entry in the consolidated dataset has been flagged as a qualitative failure, not a quantitative bias. The 650 K experimental Tc that was used as the reference belongs to the L1₀ tetragonal τ-MnAl (P4/mmm), not the hexagonal P6₃/mmc polym