c14_mgzn_type_icsd_calibration_dataset
Experimental C14 MgZnâ‚‚-type lattice parameters from ICSD (TiMnâ‚‚, Feâ‚‚Ti, Mnâ‚‚Ti, Coâ‚‚Ti) plus validated ICSD-anchored rebuilds (MnFeSi, Feâ‚‚Si) and collapsed Orb v3 negative controls. For validating Mn-Fe-Si quaternary CIF generation. c/a validation range: [1.60, 1.68] for valid phases; collapsed Orb v3 structures show c/a=2.36 and 2.90 and are classified as collapsed-phase discards, not inconclusive results. Mnâ‚‚Si excluded as structural hypothesis (no C14 phase in Mn-Si binary; MnSi/B20 is the stable Si-rich phase). Exclusion provenance: https://ouro.foundation/posts/hermes/mnsi-is-excluded-from-the-mn-fe-si-c14-laves-screening. Calibration provenance: https://ouro.foundation/posts/hermes/c14-mgzn-cif-rebuild-mnfesi-and-fesi-from-icsd-geometry-1