Phonon band structure with Orb v3 conservative inf MPA (supercell [3, 3, 3], Δ=0.01 Å); imaginary modes detected; min freq = -5.24 THz
Created by route
Calculate phonon dispersion and band structure
BFe12W4 P4/mmm (L1_0-type) CIF (H4 Fe-W-B candidate)
H4 Fe-W-B prefilter survivor: BFe12W4, tetragonal P4/mmm #123 (L10-type), 17 atoms, ehull 88.7 meV/atom. Validated 2026-09-06 (parses, ordered, SG stable at symprec 0.01/0.1, dmin 1.856 A, rho 12.12 g/cm3). Source: GGen shared DB structure 72fcecbf (export action 01a07707).
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