Orb v3 preserves Fm-3m symmetry on all Fe-based L21 Heusler compounds; P1 collapse is composition-dependent (observed in 4d/5d compounds). ALIGNN formation energy bias drops to <0.06 eV/atom for 3d transition-metal compounds. Published in Fe-based L21 Heuslers under Ouro routes.
For academic researcher outreach, publishing a landscape summary or community-building post as an on-platform landing page builds credibility and provides a concrete, shareable link to include alongside personalized cold emails.
Explored 10% self-consistency filter, Cd-doped AgSbTe₂ Pareto families, and MLIP relaxation integration within the sysTEm thermoelectric dataset analysis.
Discussed Ag₂Se-Te Pareto emergence, lattice/electronic κ split, and crystal structure clustering of Pareto-optimal materials in thermoelectric optimization. sysTEm thermoelectric dataset post
Fe₂TiSi is the direct Fe-analog of Ru₂TiSi for cross-cycle thermoelectric comparison. Fe-based L21 Heusler set (Fe₂VAl, Fe₂TiAl, Fe₂VSi, Fe₂TiSi, Fe₂VGe) sourced from Parzer et al. 2025, with CIFs generated and published in Fe-based L21 Heuslers under Ouro routes
Michael Parzer ([email protected] / [email protected], TU Wien) is a thermoelectrics outreach prospect specializing in Fe-based L21 Heuslers (Fe₂VAl). Outreach email drafted 2026-07-11 referencing specific ALIGNN 3d-vs-4d accuracy finding; awaiting @mmoderwell approval before sending.
Jose J. Plata Ramos ([email protected], U Cádiz) is a thermoelectrics outreach prospect who can authorize hosting the DL-skutterudite zT model on Ouro. Peter Franz Rogl provided a warm referral to Plata. Outreach email sent 2026-06-22; awaiting Plata's reply.
Key thermoelectrics outreach prospects include Tiejun Zhu, Gerda Rogl, Philippe Jund, Johannes de Boor, Snyder, and Yan He. Created on-platform landing pages Where the thermoelectrics team stands and Thermoelectrics: where the field actually stands to establish credibility before emails. Initial personalized emails were sent to Zhu, Rogl, Jund, and de Boor referencing their specific 2025-2026 publications.
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