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Compile curated candidate dataset of ~20-30 RE-free magnetic intermetallic candidates from existing screening work in #permanent-magnets. Draw from: MnB-type monoborides (dataset 019eb92d), Cu2Sb-type Mn compounds (Mn2Sb, MnAlGe, MgMnGe, KMnP), MAB phases (Mn2AlB2, Fe2AlB2, Cr2AlB2), C14 Laves Fe-Mn-Si, and calibration anchors (dataset 019ec158: tau-MnAl, MnBi, FePt, CoPt). Columns: compound, formula, space_group, prototype, formation_energy_eV_per_atom, hull_distance_eV_per_atom, magnetic_moment_uB, curie_temp_K, source_post_id, cif_file_id, notes. Publish as a new dataset in #permanent-magnets (team 01954d5f, org 00000000). Done: dataset published with 20-30 rows, all columns populated from existing data, each row references its source analysis post and CIF file asset where available.
Verify CIF completeness and fill gaps: check that every candidate in the curated dataset has a corresponding CIF file asset. Existing CIFs: MnB (13407c5a), Mn2Sb (ba60c123), MgMnGe (20a0b5e7), KMnP (c52d576a), Mn2AlB2 (cc3a45a8), Fe2AlB2 (0010b12f), Cr2AlB2 (e84ef414). Generate missing CIFs for candidates without one (e.g., MnAlGe, CrB, FeB, CoB, MnBi, tau-MnAl, FePt, CoPt) using ICSD-anchored or ASE-built templates. Upload as file assets in #permanent-magnets. Update the dataset's cif_file_id column with the file asset UUIDs. Done: every candidate row in the dataset has a non-empty cif_file_id pointing to an existing file asset in #permanent-magnets.
Publish a presentation post in #permanent-magnets (team 01954d5f) summarizing the curated candidates for Oliynyk's review, organized by structural family (monoborides, Cu2Sb-type, MAB phases, Laves, calibration anchors). For each family: list the candidates, summarize stability data (formation energy, hull distance), magnetic properties (moment, Curie temperature), and synthesis-relevant notes. Embed the curated dataset. Explain what Oliynyk's synthesizability ranking could tell us and which candidates are highest priority for experimental synthesis. Done: post published in #permanent-magnets with embedded dataset, linked CIFs, and clear per-family synthesis recommendations.
Send Oliynyk the prepared materials: email Anton Oliynyk ([email protected]) with the curated dataset link and presentation post, confirming the call date (July 14 or 16) and outlining what we have prepared. CC @mmoderwell and Oliynyk's team ([email protected], [email protected]). Reference specific candidate families and why they fit his synthesizability ranking engine. Update CRM dataset 019ee292: Oliynyk row to status 'replied', reply_received updated with collaboration status, next_action set to 'Prepare for call; confirm date'. Note: this item depends on the Resend MCP email tool being available. If still broken, share the prepared materials as a comment on this quest for @mmoderwell to forward manually. Done: email sent with message ID logged in CRM, or materials shared as comment for manual forwarding if Resend unavailable.
The previous cycle (24, photovoltaics) shipped cleanly: paper selected, CIFs generated, routes executed, analysis post published, email drafted and CRM logged, all within a single quest lifecycle. The compact four-item pipeline works when tooling cooperates. The main recurring blocker has been the Resend MCP email tool failing intermittently, which delayed follow-up sends in two prior ticks. This plan prioritizes the single most time-sensitive collaboration over a new outreach cycle.
Anton Oliynyk (Hunter College, CUNY) replied positively to outreach on 2026-07-02. He offered to rank synthesizability of our RE-free magnetic intermetallic candidates using his recommendation engine and try synthesizing some in his lab. He has collaborators working on RE-free boride permanent magnets. A reply was sent (email 6627ae2f) proposing a call the week of July 13, suggesting July 14 or 16, with
Before the call, we need a curated dataset of approximately 20-30 RE-free magnetic intermetallic candidates with formation energies, hull distances, magnetic properties, and CIF files. The candidates should be drawn from prior screening work in #permanent-magnets:
MnB-type monoborides (Pnma): MnB, CrB, FeB, CoB screened in the FeB-type family dataset (019eb92d). MnB is ICSD-anchored (file 13407c5a).
Cu₂Sb-type Mn compounds (P4/nmm): Mn₂Sb, MnAlGe, MgMnGe, KMnP. CIFs already exist for Mn₂Sb (ba60c123), MgMnGe (20a0b5e7), KMnP (c52d576a). MnAlGe was identified as top priority with Tc≈505K.
MAB phases (Cmmm): Mn₂AlB₂, Fe₂AlB₂, Cr₂AlB₂. All ICSD-anchored CIFs exist (cc3a45a8, 0010b12f, e84ef414). Gate 1 confirmed E_hull=0.0 for all three.
C14 Laves (Fe-Mn-Si system): Mn₂Si, Fe₂Si, MnFeSi. CIFs generated in prior cycles, though structural fragility was documented.
Other candidates from the calibration anchors dataset (019ec158): tau-MnAl L1₀, MnBi, FePt L1₀, CoPt L1₀.
This is not new research. It is packaging existing results into a presentable, synthesis-ready format that Oliynyk can run through his synthesizability ranking engine and select targets for lab synthesis.
Pending follow-up waves (Okabe/Li due July 12, Yuk/Lee due July 14, Moore/Astera due July 16) stay on quest 019f42b4. Cycle 23 analysis pipeline and email draft stay on quest 019f53a3. The Robredo email approval stays on quest 019f42b4. The catalysis prospect research stays on quest 019f4ddc. None are copied forward.
24 RE-free magnetic intermetallic candidates across 6 structural families, with predicted properties, experimental benchmarks, and CIFs. Prepared for Anton Oliynyk's synthesizability ranking engine.
Fe2Si in C14 MgZn2-type Laves phase (P63/mmc, Z=4). Built from MgZn2 prototype with lattice parameters estimated from C14 Laves systematics (a=4.70 Å, c=7.66 Å). Si at 4f (z=0.0621), Fe at 2a and 6h (x=0.8333). Part of the curated RE-free magnet candidate dataset for the Oliynyk collaboration.
Sharing Cu₂Sb-type Gate 1–3 results, MAB phase structural case, and asking three targeted questions about orthorhombic validation gates, anisotropy direction, and experimental MAE workaround
JARVIS ALIGNN formation energy screening of MnFeSi-C14 and Fe₂Si-C14 Laves phases using ICSD-anchored CIFs. All compositions thermodynamically inaccessible.
Quantified bias, anchor set, and applicable range for ALIGNN formation energy predictions — no new calibration work, preservation of existing findings only.
Independent ML validation of 5 rare-earth-free permanent magnet candidates from Jami et al. (arXiv:2507.01849) using Ouro's Orb v3 + ALIGNN + Tc prediction routes
RE-free permanent-magnet screening bias-correction calibration anchors dataset. NEMAD Tc ML predictions vs experimental Curie temperatures. Now includes 7 structure families: L10, D022, Cu2Sb-type, D019, Nowotny, NiAs, and tau hexagonal. Key finding: hexagonal bias is structure-family-dependent, not just symmetry-dependent.
Curated dataset of 24 rare-earth-free magnetic intermetallic candidates from Ouro #permanent-magnets screening work. Organized by structural family: FeB-type monoborides (MnB, FeB, CrB, CoB), Cu2Sb-type (Mn2Sb, MnAlGe, MgMnGe, KMnP), MAB phases (Mn2AlB2, Fe2AlB2, Cr2AlB2), C14 Laves (MnFeSi, Fe2Si), calibration anchors (tau-MnAl, MnBi, Mn3Ga, Mn5Ge3, FePt, CoPt), and Jami et al. validation candidates (Fe2P, FeNi, Fe3Ga). Each row includes ML-predicted formation energy, hull distance (bias-corrected where available), magnetic moment, Curie temperature, source analysis post, and CIF file asset reference.
Four Mn-bearing Cu2Sb-type (P4/nmm) end-members (MnAlGe, Mn2Sb, MgMnGe, KMnP) screened with ALIGNN moment + e_hull and the Curie T route. Mn2Sb comes out as the strongest hit (430 K predicted, 550 K experimental), 100-300 K systematic under-prediction is documented, MAE gate is the next step for Mn2Sb.
DFT MAE gate on the two Cu2Sb-type P4/nmm candidates from the Gate 2 sweep. Mn2Sb FAILS at 0.163 MJ/m^3; KMnP just PASSES at 0.513 MJ/m^3. MAE ranking inverts Curie T ranking. Cu2Sb-type line closed at the screening level.