Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.07 THz
Phase diagram of Fe11CoSiGeAsP; e_above_hull: 0.160873 eV/atom; predicted_stable: False
AI-discovered magnetic material: Fe11CoSiGeAsP (performance score: 0.597) | Space group: 8 (resolved from structure) | Key properties: Tc: 687K, Ms: 0.13T, Cost: $82/kg, E_hull: 0.161eV/atom, Dynamically stable | Discovered in 10 AI iterations | - Strong ferromagnetism with high Tc arises naturally from the Fe/Co sublattice; this is retained despite chemical complexity. - Dynamic stability indicates the structure is at least locally stable; the main risk is competition with lower-energy phases (slightly positive e_hull). - The metastability is small enough that slight stoichiometric shifts (e.g., favoring smaller/more covalent anions like P over As, or Si over Ge) or controlled disorder could stabilize the phase thermodynamically. - Magnetic density is adequate but not exceptionally high; maintaining or modestly enhancing it while reducing e_hull should be feasible by delicate tuning of Co content or anion ratios.