| gate | route | units | verdict | residual | candidate | predicted |
|---|---|---|---|---|---|---|
| moment | jv_magmom_oszicar_alignn | uB/cell | PASS_FM | 0.0 | Mn3Ga | 4.877 |
| Tc |
| NEMAD |
| K |
| RAW_FAIL_PASS_AFTER_BIAS |
| -199.4 |
| Mn3Ga |
| 450.6 |
| e_hull | jv_ehull_alignn | eV/atom | ALIGNN_FALSE_FLAG | 3.133 | Mn3Ga | 3.133 |
Gate 1 screening results for D022 Mn3Ga (I4/mmm). Fourth structure family in the bias-correction protocol. Moment PASS, Tc underprediction -199 K (consistent with tetragonal families), e_hull false-flag.
| Column | Range | Mean | Filled |
|---|---|---|---|
| candidate | 1 distinct | — | 100% |
| structure_type | 1 distinct | — | 100% |
| space_group | 1 distinct | — | 100% |
| gate | 3 distinct | — | 100% |
| route | 3 distinct | — | 100% |
| predicted | 3.133–450.6 | 152.9 | 100% |
| experimental | 0–650 | 218.3 | 100% |
| residual | -199.4–3.133 | -65.42 | 100% |
| units | 3 distinct | — | 100% |
| verdict | 3 distinct | — | 100% |