The previous plan (019f4da0) completed 3 of 4 items cleanly: cycle 20's TMD HER catalyst analysis post was published with full route evidence, and the sponsor pipeline was expanded with 5 new prospects (Sloan Foundation, Renaissance Philanthropy, and others). The Zhenpeng Hu email remains waiting on
This plan runs cycle 21 end-to-end and drafts a sponsor outreach email. It does not touch pending items on other quests: the Zhenpeng Hu email approval (019f4da0), the Walsh email (019f47d5), the Zakaryan email (019f48e8), the July 13-14 follow-up wave (019f480c), or the blocked audit update and catalysis prospect items (019f4ddc).
Cycle 21: Fe₂VAl-based Ru-free thermoelectric Heuslers. This cycle is directly responsive to community engagement: stevejones asked "anyone doing something similar but in Ru-free system?" on the Ru₂TiSi analysis post, and
Sponsor outreach email draft. The GGen quest (019f4ddc) already produced a sponsor email draft for one identified sponsor. This plan picks a different sponsor from the identified pool in the CRM — likely Alfred P. Sloan Foundation (Scientific Collaboration/Technology program) or Renaissance Philanthropy / Open Source for Science Fund — and drafts a personalized outreach email translating a community open question into a fundable opportunity.
No duplication of pending items on quests 019f4da0 (Hu email), 019f47d5 (Walsh email), 019f48e8 (Zakaryan email), 019f480c (July 13-14 follow-up wave), or 019f4ddc (audit update, catalysis prospects).
No materials science research work (screening chains, bias correction, DFT/MLIP calculations) per
Every email personalized to one person referencing their specific work. No bulk sends.
Sponsor email must target a different sponsor than the one drafted on quest 019f4ddc.
OpenedClosed after about 4 hours
Cycle 21 paper selection and deep-read: search for a recent 2025-2026 paper on Fe2VAl-based or other Ru-free thermoelectric Heuslers from the Vienna group (Garmroudi, Parzer, Bauer) or adjacent groups. This directly responds to stevejones's community question and @mmoderwell's ask on the Ru2TiSi analysis post (019f1ff4). The paper must have 3-6 specific compounds with crystallographic data suitable for CIF generation and route execution. Deep-read the paper, extract compounds with structures, identify corresponding author(s) and professional email addresses. Dedup all authors against CRM dataset 019ee292. Done: specific paper selected with title, authors, 3-6 compounds listed, corresponding author email identified, CRM checked for existing contacts.
Cycle 21 analysis pipeline and post: generate CIFs for the 3-6 extracted compounds using ICSD-anchored or ASE-built structures. Run each through Orb v3 relaxation with P1 collapse check, then MP convex hull energy, ALIGNN TBmBJ band gap, ALIGNN formation energy, and Seebeck coefficient routes where applicable. Compare results to the Ru2TiSi cycle findings (ALIGNN band gap accuracy, formation energy ~2 eV/atom bias, Orb v3 P1 collapse pattern). Record all route execution IDs. Publish analysis post in #thermoelectrics (team 0196b63a) with typed asset links to CIFs and route outputs, and a comparison table vs the Ru2TiSi results. Done: CIFs created, all route executions completed with results captured, P1 collapse status noted per compound, analysis post published in #thermoelectrics with linked evidence and Ru2TiSi comparison.
Cycle 21 email draft and CRM logging: draft a personalized email to the paper's corresponding author referencing specific results from the cycle 21 analysis post. Connect their work to the Ru2VAl/Ru2TiSi comparison, relevant Ouro teams (#thermoelectrics), existing analysis posts, and platform capabilities (ALIGNN TBmBJ band gap, Seebeck routes, SKY synthesis API where applicable). Share draft with @mmoderwell for approval before sending. Once approved, send via Resend, capture message ID, upsert CRM dataset 019ee292 with status sent, email_id, and 7-day follow-up reminder. Done: email draft shared for approval as a comment on this quest, CRM row created with contact info, focus notes, and batch tag. If approval arrives within the session, email sent and message ID logged.
Sponsor outreach email draft: query CRM dataset 019ee292 for sponsor contacts at status identified, excluding any sponsor already drafted on quest 019f4ddc. Pick one with clear alignment to materials ML, clean energy, or thermoelectric research — likely Alfred P. Sloan Foundation (Scientific Collaboration/Technology program) or Renaissance Philanthropy / Open Source for Science Fund. Draft a personalized outreach email translating a specific community open question or quest into a fundable opportunity — what gets done, the deliverable, why it matters, rough scope. Be honest about stage and uncertainty. Share the draft as a comment on this quest for @mmoderwell approval. Update the CRM row to status drafted. Done: email draft posted as comment on this quest, CRM row updated to status drafted with focus and next_action fields populated.
Fe2VSi L21 full-Heusler (Fm-3m), a=5.677 Å. Si-on-Al-site substitution from Parzer et al. 2025.
Fe2VGe L21 full-Heusler (Fm-3m), a=5.798 Å. Ge-on-Al-site substitution from Parzer et al. 2025.
25 route executions on 5 Fe2VAl-family L21 Heuslers. Orb v3 preserves Fm-3m (contrast: Ru2TiSi P1 collapse). ALIGNN formation energy bias vanishes for 3d compounds. TBmBJ gaps correctly near-zero.
Fe2TiSi L21 full-Heusler (Fm-3m), a=5.860 Å. Double-site substitution (Fe-analog of Ru2TiSi) from Parzer et al. 2025.
Fe2VAl L21 full-Heusler (Fm-3m), a=5.765 Å. Parent compound from Parzer et al. 2025.
Fe2TiAl L21 full-Heusler (Fm-3m), a=5.932 Å. Ti-on-V-site substitution from Parzer et al. 2025.
ML prediction route comparison against Garmroudi et al. Nat. Commun. 17, 2878 (2026). ALIGNN TBmBJ band gap matches DFT+U; Orb v3 collapses L21 to P1; formation energy bias extends to thermoelectric Heuslers.