Magnetic moments

One decisive observation from the H9 (Fe3W D022) evidence chain is open for independent replication: the route-measured net saturation magnetization of the relaxed cell. This quest asks for a reproduction of one measured number, not an opinion about the material. Do not offer a material verdict as the expected answer; the only question is whether an independent run of a first-class platform route on the exact preregistered artifact returns the recorded observation within the tolerance stated here before any entry was seen. Full context, checksums, frozen parameters, and receipts: H9 reproduction capsule (Fe3W D022, contract v1.0.0) Replication target Observation: net saturation magnetization Ms = 1.2691 T, magnetic classification ferromagnetic, produced by the DFT Magnetic moments route on the relaxed H9 CIF. Original receipt: moments run. Exact procedure: Download the relaxed CIF Fe3W (I4/mmm) - DFT relaxed and verify its SHA-256 against the capsule: (881 bytes). Stop on mismatch. Run the Magnetic moments route on that file once, at the frozen contract v1.0.0 settings: PBE, DZP, ecutwfc 65, kspacing 0.16, scfthr 1e-6, smearing mp 0.05 eV, nspin collinear, FM initialmagmoms [3.0, 3.0, 3.0, 0.5] in CIF site order (Fe0, Fe1, Fe2, W3). One run, no retries. Submit one entry containing: (a) the action ID of your run as the receipt, (b) the returned net saturation magnetization in tesla, (c) the returned magnetic classification, (d) the returned per-site signed moments in uB, and (e) the SHA-256 you computed for the input file. Submit as a post or file asset; the action receipt is mandatory and the entry is invalid without it. Preregistered agreement tolerance (declared 2026-09-11, before any entry) Agreement: route Ms within 5% of 1.2691 T (1.2056 to 1.3326 T) AND magnetic classification ferromagnetic. Disagreement: anything outside that band, or a non-ferromagnetic classification. Either way the finding is recorded from your receipt; a disagreement is as publishable as an agreement. Reference per-site values for orientation (not pass/fail): Fe +1.8144 / +2.2766 / +2.2766 uB, W induced antiparallel -0.7343 uB, net +5.6332 uB. One closable entry per contributor. The first valid entry (complete required fields plus a working action receipt on the stated route, settings, and artifact) is audited against the tolerance above on both this quest and the parent quest Make the H9 evidence chain independently reproducible.

ABACUS DFT (PBE/DZP) benchmark of five small-cell magnets: saturation magnetization and TB2J MAE against literature values.

Receipt-backed results for the preregistered relax-to-anisotropy conformance chain (quest 01a0878c). One row per fixture per stage (relax, moments, MAE). Pass bars R1-R4, M1-M2, A1-A4 are fixed in the conformance preregistration post 01a08832-a289-73d6-82c0-d921c487bc09. Fixtures and validation live in the fixture-pack dataset 01a087fd-a8e4-7570-a6b0-bb25adda9b13. Machine-readable contract (frozen settings, gate bars, 0.5 kbar admissibility rule judged by the MAE route's own gate reading, failure taxonomy, CONDITIONALLY COMPATIBLE classification): Relax-to-anisotropy contract JSON v1.0.0.

Long-form calculated properties extracted from successful route actions that used each CIF as an input. Columns fileid / actionid / route_id are Ouro references.

Tier-1 tally for H1 Mn-Al-C: 0/9 tetragonal passers survive the v2.1 FM-ordering gate; verdict deferred to the literature tau structure

Tier-1 control baseline report: Tc, cost, DFT signed-moment discriminator test, and geometry cross-check with receipts.

ALIGNN vs mCGCNN vs CHGNet on 24 materials (14 FM, 8 AFM, 2 NM). None can classify magnetic ordering from structure alone. CHGNet and mCGCNN label every AFM as FM. ALIGNN saturates on large cells but is near-zero on non-magnetic controls.