Phase diagram of NbFe2CoB; eabovehull: 1.134038 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -36.8466 eV; energy change = 0.0000 eV; symmetry: P4/mmm → P4/mmm
Fe2CoNbB (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm) (missed expected composition: Fe2CoNbB)
Phase diagram of FeCo(BMo)2; eabovehull: 0.421292 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -50.4883 eV; energy change = -0.0216 eV; symmetry: P-4m2 → P-4m2
Mo2FeCoB2 (space group: P-4m2 #115, crystal system: tetragonal, point group: -42m) (missed expected composition: Mo2FeCoB2)
Phase diagram of Ta(FeB)2; eabovehull: 51.448402 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = 257.7828 eV; energy change = -56698.3578 eV; symmetry: P4mm → P1
Fe2CoTaB2 (space group: P4mm #99, crystal system: tetragonal, point group: 4mm) (missed expected composition: Fe2CoTaB2)
Phase diagram of FeCo; eabovehull: 0.059734 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -124.3761 eV; energy change = -0.0025 eV; symmetry: Cmm2 → Cmm2
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -168.7139 eV; energy change = -0.0242 eV; symmetry: C2/m → C2/m
8 generated crystal structures with magnetic density 0.12
8 generated crystal structures with magnetic density 0.13
8 generated crystal structures with magnetic density 0.12, HHI score 0.3
8 generated crystal structures with magnetic density 0.14, HHI score 0.2
Phase diagram of Mn10Al2C; eabovehull: 0.164387 eV/atom; predicted_stable: False
Phase diagram of FeCoNiBiS; eabovehull: 0.293533 eV/atom; predicted_stable: False