Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -118.0186 eV; energy change = 0.0000 eV; symmetry: Fm-3m → Fm-3m
Crystal structure generated by TreeQuest optimization (file 32)
Phase diagram of Fe5SiB2; eabovehull: 0.315452 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -245.7654 eV; energy change = -1231.9020 eV; symmetry: P4/mnc → P1
Crystal structure generated by TreeQuest optimization (file 31)
Phase diagram of FeCo2Si; eabovehull: 0.003971 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 30)
Phase diagram of Fe2NiGe; eabovehull: 0.144021 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -109.5755 eV; energy change = 0.0000 eV; symmetry: Fm-3m → Fm-3m
Crystal structure generated by TreeQuest optimization (file 29)
Phase diagram of FeCoSi; eabovehull: 2.594447 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -14.5141 eV; energy change = 0.0000 eV; symmetry: P4/mmm → P4/mmm
Crystal structure generated by TreeQuest optimization (file 28)
Phase diagram of Fe4CoSi; eabovehull: 12.951272 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = 29.8836 eV; energy change = -0.2570 eV; symmetry: P4/mmm → Pmm2
Crystal structure generated by TreeQuest optimization (file 27)
Phase diagram of Fe2Mo; eabovehull: 1.058050 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -98.3355 eV; energy change = -8.2368 eV; symmetry: Pnma → P1
Crystal structure generated by TreeQuest optimization (file 26)