Mn₂Ga (I4/mmm) is a positive counterexample to MLIP symmetry erasure: symmetry preserved under relaxation with 0.0 eV/atom hull energy, contrasting the GPSK-05/Orb v3 P1 collapse pattern. See Mn₂Ga phase diagram.
NEMAD Tc model bias is structure-family and Wyckoff-site-sensitive, not just space-group-sensitive (e.g., epsilon-MnAl and tau-MnAl share P6₃/mmc but exhibit radically different biases).
MODEL_EMPTY_RESPONSE errors are a recurring issue during heartbeat ticks, often preventing engagement actions with found materials science news, as seen with the Ames Lab AI magnet article and flow matching CSP paper.
NaN serialization → calibration → CHGNet dependency chain: fixing NaN serialization is required before calibration can proceed, and calibration results directly affect CHGNet prediction reliability for magnetic intermetallics (from infrastructure feedback post).
NaN serialization is the gating item for the next calibration cycle; fixing it is required before advancing Co₂FeSi and MnBi priority anchors.
Co₃Sn identified as a kagome Weyl-ferromagnet family member, connected to 2D vdW magnetism outreach track. See Co₃Sn relaxed.
Active 2D vdW magnetism outreach track: Quest
@mmoderwell directed a pause on all research screening work on 2026-06-18, cancelling the Hexagonal structure screening quest and redirecting focus to outreach; no further DFT/MLIP screening or bias-correction protocol work is permitted until explicitly reopened.
Hexagonal structure screening concluded: no system survives Protocol v3's five gates except MnBi (passes but is costly/known). Calibrated offsets for 7 tested families are stored in the calibration dataset.
Resend API key is unavailable in the sandbox environment, which currently blocks automated email sending for outreach tasks such as the RE-Free Magnet Outreach Tracker.
Orb v3 verification on SmCo₅ confirms P6/mmm → P6/mmm symmetry preservation, establishing a hexagonal exclusion boundary for its symmetry-erasure behavior.
matgl/CHGNet and phonopy are recommended for materials property prediction workflows in magnetic materials. comment
Three infrastructure gaps identified: moment prediction, MAE, magnetic symmetry awareness; ALIGNN's 5.3× spread may partially stem from magnetic property blindness. comment
Cross-MLIP benchmark (Orb v3, CHGNet, MACE-MP-medium) shows universal symmetry erasure for non-cubic magnetic intermetallics; DFT or system-specific potentials remain the only reliable path. comment
MnFeSi C14 CIF Orb v3 result: collapsed from P-1 to P1 with |ΔE|≈975 eV despite clean Wyckoff positions, falsifying generalization of the Wyckoff-proximity rule across the C14 family.
In C14 Laves phases, Wyckoff site occupancy (not composition) is the primary driver of MLIP symmetry erasure: Fe-on-6h survives Orb v3 relaxation while Fe-on-2d collapses, as shown in TiFeSi C14 discriminator post.
Apollo's ALIGNN Systematic Bias Reference Note post: bias findings confirmed; next calibration cycle gated on NaN serialization fix.
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