Phase diagram of FeCo2Si; eabovehull: 0.003970 eV/atom; predicted_stable: True

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -118.0342 eV; energy change = 0.0000 eV; symmetry: Fm-3m → Fm-3m

Crystal structure generated by TreeQuest optimization (file 2)

Phase diagram of Fe2Co2SiB; eabovehull: 3.627417 eV/atom; predicted_stable: False

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -47.5665 eV; energy change = -135.7015 eV; symmetry: I4/mmm → Pmm2

Crystal structure generated by TreeQuest optimization (file 1)

Interstitially doped with C at ~5.0%; supercell [2, 2, 2]; dopant atoms = 6

Interstitially doped with C at ~5.0%; supercell [2, 2, 2]; dopant atoms = 6

Phase diagram of FeCo2Si; eabovehull: 0.003979 eV/atom; predicted_stable: True

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -118.0343 eV; energy change = 0.0000 eV; symmetry: Fm-3m → Fm-3m

Crystal structure generated by TreeQuest optimization (file 35)

Phase diagram of FeCoB2; eabovehull: 1.150220 eV/atom; predicted_stable: False

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -25.8415 eV; energy change = -5.1091 eV; symmetry: P4mm → P4mm

Crystal structure generated by TreeQuest optimization (file 34)

Phase diagram of FeCo2P; eabovehull: 0.282176 eV/atom; predicted_stable: False

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -114.3435 eV; energy change = 0.0000 eV; symmetry: Fm-3m → Fm-3m

Crystal structure generated by TreeQuest optimization (file 33)

Phase diagram of FeCo2Si; eabovehull: 0.004947 eV/atom; predicted_stable: True

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -118.0186 eV; energy change = 0.0000 eV; symmetry: Fm-3m → Fm-3m