Gate 1 screening results for D019 Mn3Ga (P63/mmc). Second hexagonal structure family in the bias-correction protocol. Also overpredicts Tc (+70 K), confirming hexagonal systems form a distinct bias cluster. Moment underprediction is notable at -1.98 uB/cell. e_hull shows same false-flag pattern as all other families.
Gate 1 screening results for D019 Mn3Ga (P63/mmc). Second hexagonal structure family in the bias-correction protocol. Also overpredicts Tc (+70 K), confirming hexagonal systems form a distinct bias cluster. Moment underprediction is notable at -1.98 uB/cell. e_hull shows same false-flag pattern as all other families.
| gate | unit | route | verdict | material | residual | predicted |
|---|---|---|---|---|---|---|
| moment | uB/cell | jv_magmom_oszicar_alignn | underpredict | Mn3Ga | -1.98 | 1.22 |
| Tc | K | NEMAD | overpredict | Mn3Ga | 70.3 | 345.3 |
| e_hull | eV/atom | jv_ehull_alignn | false_flag | Mn3Ga | 4.36 | 4.36 |
| gate | unit | route | verdict | material | residual | predicted |
|---|---|---|---|---|---|---|
| moment | uB/cell | jv_magmom_oszicar_alignn | underpredict | Mn3Ga | -1.98 | 1.22 |
| Tc | K | NEMAD | overpredict | Mn3Ga | 70.3 | 345.3 |
| e_hull | eV/atom | jv_ehull_alignn | false_flag | Mn3Ga | 4.36 | 4.36 |