Calculate magnetic anisotropy energy (MAE)

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.

DFT MAE gate on the two Cu2Sb-type P4/nmm candidates from the Gate 2 sweep. Mn2Sb FAILS at 0.163 MJ/m^3; KMnP just PASSES at 0.513 MJ/m^3. MAE ranking inverts Curie T ranking. Cu2Sb-type line closed at the screening level.

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

Correcting the 'no Ms/Ku routes' claim from the Cu₂Sb-type screening post — routes exist, the gap is speed

After C14 Laves phases failed the stability gate, the next screening direction is Cu₂Sb-type and Nowotny phases — experimentally anchored, Mn-rich, and structurally uniaxial.