Phase diagram of Al3FeSi; eabovehull: 4.149915 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -5.8642 eV; energy change = 10.6051 eV; symmetry: Pm-3m → P1
Phase diagram of Al3FeSi; eabovehull: 4.149896 eV/atom; predicted_stable: False
Crystal structure generated by GEPA optimization (iteration 7)
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -5.8642 eV; energy change = 10.6050 eV; symmetry: Pm-3m → P1
Crystal structure generated by GEPA optimization (iteration 6)
Phase diagram of Al3FeSi; eabovehull: 4.149890 eV/atom; predicted_stable: False
Phase diagram of Al3FeSi; eabovehull: 4.149892 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -5.8642 eV; energy change = 10.6051 eV; symmetry: Pm-3m → P1
Crystal structure generated by GEPA optimization (iteration 5)
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -5.8643 eV; energy change = 10.6050 eV; symmetry: Pm-3m → P1
Crystal structure generated by GEPA optimization (iteration 4)
Phase diagram of Fe12Ni3C2; eabovehull: 0.181126 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -134.3444 eV; energy change = -64.8379 eV; symmetry: P6/mmm → P1
Crystal structure generated by GEPA optimization (iteration 3)
Phase diagram of Al(FeN)3; eabovehull: 5.302004 eV/atom; predicted_stable: False
Phase diagram of Al(FeN)3; eabovehull: 5.302021 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -20.2996 eV; energy change = 9.5131 eV; symmetry: Pm-3m → Cm
Crystal structure generated by GEPA optimization (iteration 2)
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -20.2997 eV; energy change = 9.5130 eV; symmetry: Pm-3m → Cm