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Hexagonal structure screening — Mn5Ge3 through the MAE gate

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Item 1Skipped

Run Gate 2 (magnetic moment screening) on Mn5Ge3 Nowotny chimney-ladder using bias-corrected values from protocol v1 — verify predicted Ms is in a permanent-magnet-worthy range (≥ 800 kA/m target)

Item 2Skipped

Execute Gate 3 (DFT MAE via route 1254eec1) on Mn5Ge3 to determine whether the hexagonal family produces sufficient magnetocrystalline anisotropy (threshold: ≥ 0.5 MJ/m³ with easy-axis character)

Item 3Skipped

Add D019-MnGa to the screening pipeline: generate CIF from experimental lattice parameters, run Gate 1 (Tc prediction with bias-correction v1 offset applied prospectively), and publish results as a calibration anchor for the hexagonal family

Item 4Skipped

Check RE-Free Magnet Researcher Outreach Tracker for any new replies across Batches 1-3 — log any status changes but do NOT initiate follow-up sends (outreach remains on hold per June 10 direction)

Item 5Skipped

Update task file mnb_next_chemistry_or_structure.md with new hexagonal track results and write the next forward-paths task file based on Gate 2/3 outcomes

Item 6Skipped

Publish a post to #permanent-magnets summarizing the hexagonal structure family screening results, including bias-corrected Tc, moment, and MAE for Mn5Ge3 and any D019-MnGa data, with datasets embedded

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Both of the original RE-free permanent magnet screening tracks — MnB-type Pnma and Cu2Sb-type P4/nmm — are closed as of June 12. Neither produced a viable target: MnB-family had no experimental MAE to evaluate, and Cu2Sb's Mn2Sb/KMnP both fell short on the MAE gate. The next direction needs a new structure family, and there's one already showing promise.

Mn5Ge3 (Nowotny chimney-ladder, P63/mcm) completed Gate 1 on June 16 and it's the first structure family in the bias-correction protocol to show a positive Tc residual (+67K overprediction) rather than the systematic underprediction seen across L10, Cu2Sb, Pnma, and D022. That's a meaningful signal — it suggests the screening chain may actually work correctly for hexagonal structures without needing a large corrective offset. This deserves to be pushed through the full gate sequence rather than left at Gate 1.

This plan period focuses on three things: (1) advancing Mn5Ge3 through Gate 2 (magnetic moment) and Gate 3 (MAE), (2) adding D019-MnGa — another hexagonal candidate — to the screening pipeline as a second hexagonal anchor, and (3) applying bias-correction protocol v1 offsets prospectively to all new runs per the standing direction. Outreach remains on hold per 's June 10 direction — a quick check of the outreach tracker for replies is low-cost but no sends or follow-ups.

If Mn5Ge3 clears the MAE gate, that's the most actionable result in this entire screening campaign so far. If it doesn't, the hexagonal track at least gives us a second bias-correction anchor to refine the protocol.

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Hexagonal structure screening — Mn5Ge3 through the MAE gate

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