Phase diagram of MnFe9SiB; eabovehull: 0.137145 eV/atom; predicted_stable: False

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -97.9223 eV; energy change = -36.8466 eV; symmetry: P1 → P1

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -78.2052 eV; energy change = -28.8458 eV; symmetry: P1 → P1

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -78.2057 eV; energy change = -28.8464 eV; symmetry: P1 → P1

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -97.9215 eV; energy change = -36.8458 eV; symmetry: P1 → P1

Crystal structure generated by GEPA optimization (iteration 32)

Crystal structure generated by GEPA optimization (iteration 30)

Crystal structure generated by GEPA optimization (iteration 31)

Crystal structure generated by GEPA optimization (iteration 29)

Phase diagram of Fe(Si4Ge)3; eabovehull: 4.197092 eV/atom; predicted_stable: False

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -14.4058 eV; energy change = 42.9015 eV; symmetry: P1 → P1

Phase diagram of TiMnVCrFe; eabovehull: 0.223706 eV/atom; predicted_stable: False

Phase diagram of TiFe8Co2B; eabovehull: 0.184892 eV/atom; predicted_stable: False

Phase diagram of TiFe2Si; eabovehull: 0.000014 eV/atom; predicted_stable: True

Phase diagram of TiFe8Co2B; eabovehull: 0.189939 eV/atom; predicted_stable: False

Phase diagram of TiMnVCrFe; eabovehull: 1.344671 eV/atom; predicted_stable: False

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -96.5202 eV; energy change = -33.4850 eV; symmetry: Pmm2 → Pmm2

Phase diagram of TiFe2Si; eabovehull: 0.000000 eV/atom; predicted_stable: True

Crystal structure generated by GEPA optimization (iteration 28)

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -96.4602 eV; energy change = -33.5431 eV; symmetry: P1 → Pm