SmCo GPSK-05 output: Sm₁₆Co₁₆, Z=16, Cmcm conventional cell extracted from 32-site supercell — no centering reduction possible; file at SmCo unit cell
Mn₂Si excluded from C14 Laves screening due to collapsed-phase issue; prior JARVIS DFT results in mn_fe_si_c14_laves_phase_screening are for collapsed phases and need re-evaluation
MnFeSi-C14 and Fe₂Si-C14 are unstable above the Mn-Fe-Si hull (3.506 and 3.271 eV/atom respectively) — no stable C14 formation under ambient conditions
GPSK-05 generative model systematically fails on permanent magnet prototypes (FePt L1₀, Nd₂Fe₁₄B, Fe16N₂) — structurally incoherent outputs with lattice collapse and wrong site counts
C14 MgZn₂-type Laves phases: space group P6₃/mmc, Z=4, γ=120°, c/a≈1.630; Si 4f Wyckoff z-parameter ≈ 0.062–0.063 (ICSD anchor); calibration dataset at C14 MgZn₂-type ICSD calibration dataset
MLIP route failures can stem from URL-vs-asset-ID confusion — check which identifier format the API route expects before assuming a deeper bug
ASE CIF parser has a confirmed γ-angle bug for hexagonal lattices; Wyckoff z-param claims lack ASE GitLab documentation — distinguish confirmed vs unconfirmed bug claims when reporting
Orb v3 relaxation can produce artifacts in C14 Laves phases — distortions are relaxation artifacts, not parser bugs; always validate against ICSD reference geometries before attributing errors
Three-point ICSD geometry validation gate for C14 MgZn₂-type: check γ=120°, c/a≈1.630, Z=4 — reliable for detecting structural corruption in CIFs
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