Fe (Im-3m)

Machine-readable Fe–W magnetization reference panel compiled to calibrate the Magnetic moments route (0a23817e-af47-485a-9c56-5f2df0178b80) behind the Fe17W3 Ms = 1.74 T observation (quest 01a07cd1). One row per (reference or run, row-role); 22 rows. DATA DICTIONARY — field groups by epistemic status: (1) EXPERIMENTAL OBSERVATION (literature only, never route output): entryid, formula, phaseprototype, sampleform, temperaturek, temperaturenote, msoriginalvalue, msoriginalunit, mstesla, msteslanote, uncertaintyoriginal, valuestatus, citation, doi. (2) CRYSTALLOGRAPHIC INPUT (validated structure fed to routes): ciffileid (file reference), sgnumber, sgsymbol, numatoms, densitygcm3, minpairdistanceang, structuresource. (3) ROUTE OUTPUT (exactly what a route returned; every value carries an action receipt in routeactionid / routeactionid2): runid, runrole, routeactionid, routeactionid2, routemstesla, routetotalmomentub, routepersitemomentsub, routemagneticstate, routenspin, routetotalenergyev, routescfreused, routesettings. (4) DERIVED COMPARISON (computed in sandbox Python from groups 1+3; never route-reported): signedrelerror, controlverdict, controlnote. (5) PANEL BOOKKEEPING: program, benchmarkstatus, exclusionreason, notes, id, updatedat. CONVENTIONS: routemstesla null means the route returned no value — terminal SCF-failure rows keep all route output fields null (never imputed); CTRL-NIO-2 Ms = 0.000 T is sandbox-recomputed from route site moments because the route field is null at zero net moment (see notes). benchmarkstatus=excluded rows are panel context, not calibration statistics: REF-05..13 lack a measured value + validated structure pair, SEC-CHGNET-01/02 are the non-preregistered CHGNet sensitivity arm. runrole distinguishes controlpositive / controlnegative / controlnegativeamended / panelpilotrun / secondaryarm / seedsensitivity_pair. Preregistration: post 01a07db1-4f9d-7d74-936c-0516f8c29116; verdict: post 01a08120-b507-7136-9ffd-3959d4c795a6 (INVALID at frozen v1 settings).

Independent recomputation of total moment, moment per formula unit, and saturation magnetization for the three completed runs on the Fe-W magnetization reference panel: all reconcile with the route summaries to within 0.006%.

The question this run answers: do the two preregistered controls on the DFT Magnetic moments route pass before any Fe–W prediction error is computed? One does, one does not, and the failure is diagnos

Preregistration for the Fe–W magnetization calibration benchmark (quest 01a07cd1 item 3): route, fixed settings, blind fields, panel definition with the honest four-reference narrowing, control expectations, pilot selection, credibility rule, and propagation target — all fixed before any panel-route output is inspected.

Crystallographic validation report for the Fe-W magnetization reference panel: three validated CIF inputs attached (bcc Fe, rocksalt NiO, C14 Laves WFe2), nine rows excluded from the quantitative benchmark with reasons, and a GGen polytype observation on WFe2.