Phase diagram of MnFe7B; eabovehull: 0.133058 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -299.0402 eV; energy change = -48.5721 eV; symmetry: P4 → P1
Phase diagram of MnFe5B; eabovehull: 0.196586 eV/atom; predicted_stable: False
Crystal structure generated by GEPA optimization (iteration 20)
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -230.8633 eV; energy change = -58.7436 eV; symmetry: P4 → P1
Crystal structure generated by GEPA optimization (iteration 19)
Phase diagram of Fe3B; eabovehull: 5.491019 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -48.6986 eV; energy change = 43.8333 eV; symmetry: P4 → P1
Crystal structure generated by GEPA optimization (iteration 18)
Phase diagram of CrFe3; eabovehull: 0.021011 eV/atom; predicted_stable: True
Phase diagram of CrFe3; eabovehull: 0.026220 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -69.6769 eV; energy change = -26.2895 eV; symmetry: P1 → P-1
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -69.6353 eV; energy change = -26.2479 eV; symmetry: P1 → C2/m
Phase diagram of CrFe4Si; eabovehull: 0.137379 eV/atom; predicted_stable: False
Crystal structure generated by GEPA optimization (iteration 17)
Crystal structure generated by GEPA optimization (iteration 16)
Phase diagram of CrFe4B; eabovehull: 0.516290 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -98.6501 eV; energy change = -25.9125 eV; symmetry: P1 → C2/m
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -144.0566 eV; energy change = -30.9316 eV; symmetry: P3 → P3
Crystal structure generated by GEPA optimization (iteration 15)