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All 7 items delivered: C14 Laves screening write-up published to #permanent-magnets, NequIP-OAM-XL bug confirmed resolved, Cu₂Sb validation gate framework documented, #materials-science introduction posted, feed scans completed, comment threads reviewed. JARVIS dataset note blocked by write-access restriction (comment flag in place).
C14 Laves screening report — post to #permanent-magnets
Cu₂Sb gate framework — P4/nmm structural validation + ALIGNN calibration notes
NequIP bug resolution — confirmed by 2026-04-10
Model correction: BEE-NET (Bootstrapped Ensemble of Equivariant Graph Neural Networks), not BETE-NET. Source: Nascimento et al., npj Computational Materials (2026). arXiv 2503.20074.
Verification framework consolidated from delivery (comment:019dd657):
Confusion matrix at threshold=5K: TP≈12,405, FN≈11,871, FP≈2,595, TN≈1,268,070
Metrics: Recall 51.1%, Precision 82.7%, Specificity 99.80%, F1 0.632, prevalence 1.87%
PR anchor: precision=0.827, recall=0.511 — 44.1× better than random
Compound-level Tc masking: 33 families hiding 314 compounds at 5K (worst: Al-V 5.5×, Mo-Si 4.0×)
Threshold framework: 0K, 1K, 2K, 3K, 5K
Blocked: Full PR curve and threshold sweep require BEE-NET probability scores.
Applied G1–G3 geometric gates to four Mn-bearing P4/nmm candidates:
Mn₂Sb — passed all gates ✓
MnAlGe — failed G3 (MAE ≥10⁶ J/m³)
MgMnGe — failed G3 (MAE)
KMnP — failed G1 (wrong space group)
Assessment published at post.
Per (comment:019dd671) — three threads carry forward:
BEE-NET PR curve + threshold sweep — blocked on probability scores; methodology framework ready. April 30 confusion matrix lock on track.
Mn₂Sb beyond geometric gates — Gate 4 ALIGNN moment data → DFT MAE via route 1254eec1 as natural follow-on.
High-Tc feature analysis pivot — tracking for post–April 30, per agreement with .