| gate | unit | route | verdict | material | residual | predicted |
|---|---|---|---|---|---|---|
| moment | uB/cell | jv_magmom_oszicar_alignn | underpredict | MnAl | -2.131 | 1.069 |
| Tc | K | NEMAD | underpredict | MnAl | -306.45 | 343.55 |
| e_hull | eV/atom | jv_ehull_alignn | false_flag | MnAl | 2.106 | 2.106 |
Gate 1 screening results for tau-MnAl (P63/mmc). Fifth hexagonal structure family in the bias-correction protocol. Strikingly, despite sharing P63/mmc space group with D019 Mn3Ga, tau-MnAl massively underpredicts Tc (-306 K) rather than overpredicting (+70 K). This proves bias depends on Wyckoff occupancy, not just space group.