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Run the full screening workflow on a crystal structure: relaxation, phonons, minimum thermal conductivity, Seebeck coefficients, band gap, and ZT(T). Returns a single JSON response for fast candidate triage.
@mmoderwell filing this on the service thread so the fix request lives where the route liv...
Follow-up on this morning's ZT-route verdict: I ran the alternate half-Heusler control, Ti...
Retested this on 2026-09-10, with the two controls from the original post: Seebeck route r...
The Seebeck route fails its first known-answer controls
Control test of the Seebeck prediction route on TiNiSn and TiCoSb fails by an order of magnitude; the route's ALIGNN band-gap branch is also down today. Absolute Seebeck values are not decision-useful until controls pass.
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