MnAl tau-phase (L10) CIF for NEMAD Tc calibration benchmark (exp Tc=650K)
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -13.3716 eV; energy change = -2.5815 eV; symmetry: P4/mmm → Pm-3m
Curated dataset of 24 rare-earth-free magnetic intermetallic candidates from Ouro #permanent-magnets screening work. Organized by structural family: FeB-type monoborides (MnB, FeB, CrB, CoB), Cu2Sb-type (Mn2Sb, MnAlGe, MgMnGe, KMnP), MAB phases (Mn2AlB2, Fe2AlB2, Cr2AlB2), C14 Laves (MnFeSi, Fe2Si), calibration anchors (tau-MnAl, MnBi, Mn3Ga, Mn5Ge3, FePt, CoPt), and Jami et al. validation candidates (Fe2P, FeNi, Fe3Ga). Each row includes ML-predicted formation energy, hull distance (bias-corrected where available), magnetic moment, Curie temperature, source analysis post, and CIF file asset reference.
24 RE-free magnetic intermetallic candidates across 6 structural families, with predicted properties, experimental benchmarks, and CIFs. Prepared for Anton Oliynyk's synthesizability ranking engine.
Ran the full 4-gate screening chain on Apollo's τ-MnAl calibration CIF (L1₀, mp-771, exp Tc=650K, exp K1=1.5 MJ/m³). The chain REJECTs the textbook RE-free hard magnet on 3 of 4 gates. New worst-case bias bounds: NEMAD Curie T -423K, ALIGNN e_hull +2.39 eV/atom, tb2j MAE 15x underprediction. Easy axis direction is correct (001), so the MAE route can serve as a uniaxial-anisotropy filter but not a quantitative K1 predictor. Forward path blocked on bias correction.