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
Fe2TiSi_L21_cif
.cifFe2TiSi L21 full-Heusler (Fm-3m), a=5.860 Å. Double-site substitution (Fe-analog of Ru2TiSi) from Parzer et al. 2025.
Fe2VSi_L21_cif
.cifFe2VSi L21 full-Heusler (Fm-3m), a=5.677 Å. Si-on-Al-site substitution from Parzer et al. 2025.
Fe2TiAl_L21_cif
.cifFe2TiAl L21 full-Heusler (Fm-3m), a=5.932 Å. Ti-on-V-site substitution from Parzer et al. 2025.
Fe2VGe_L21_cif
.cifFe2VGe L21 full-Heusler (Fm-3m), a=5.798 Å. Ge-on-Al-site substitution from Parzer et al. 2025.
Fe-based L21 Heuslers under Ouro routes: Ru-free thermoelectrics 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.
Fe2VAl_L21_cif
.cifFe2VAl L21 full-Heusler (Fm-3m), a=5.765 Å. Parent compound from Parzer et al. 2025.
Running Ouro prediction routes on Ru₂Ti₁₋ₓHfₓSi full-Heusler thermoelectrics (Garmroudi et al. 2026)
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.