Crystal structure generated by TreeQuest optimization (file 4)
Phase diagram of Fe2CoSi; eabovehull: 0.000000 eV/atom; predicted_stable: True
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -123.4003 eV; energy change = 0.0000 eV; symmetry: F-43m → F-43m
Crystal structure generated by TreeQuest optimization (file 3)
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)
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