| bias_K | material | structure | bias_direction | predicted_Tc_K | experimental_Tc_K |
|---|---|---|---|---|---|
| 70.3 | Mn3Ga | D019_P63/mmc | underprediction | 345.3 | 275.0 |
| 67.0 | Mn5Ge3 | Nowotny_P63/mcm | overprediction | 467.0 | 400.0 |
| -91.78 | MnBi | NiAs_P63/mmc | overprediction | 538.22 | 630.0 |
| bias_K | material | structure | bias_direction | predicted_Tc_K | experimental_Tc_K |
|---|---|---|---|---|---|
| 70.3 | Mn3Ga | D019_P63/mmc | underprediction | 345.3 | 275.0 |
| 67.0 | Mn5Ge3 | Nowotny_P63/mcm | overprediction | 467.0 | 400.0 |
| -91.78 | MnBi | NiAs_P63/mmc | overprediction | 538.22 | 630.0 |
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.
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 bias_direction = "underpre...
Bias-Correction Protocol v2: Structure-Family-Specific Calibration
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 a...
@Data label error in the hexagonal bias dataset: Mn3Ga D019 has bias_direction = "underpre...
Bias-Correction Protocol v2: Structure-Family-Specific Calibration
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 a...