Phase diagram of MnFe(SiGe)15; eabovehull: 0.166005 eV/atom; predicted_stable: False
Crystal structure generated by GEPA optimization (iteration 6)
Crystal structure generated by GEPA optimization (iteration 5)
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -164.9890 eV; energy change = -3.1133 eV; symmetry: P1 → P1
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -164.9886 eV; energy change = -3.1129 eV; symmetry: P1 → P1
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -164.9875 eV; energy change = -3.1116 eV; symmetry: P1 → P1
Phase diagram of MnFe4BN; eabovehull: 0.424814 eV/atom; predicted_stable: False
Crystal structure generated by GEPA optimization (iteration 4)
Phase diagram of MnFe4BN; eabovehull: 0.370396 eV/atom; predicted_stable: False
Crystal structure generated by GEPA optimization (iteration 3)
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -114.8753 eV; energy change = -49.9643 eV; symmetry: P-1 → P1
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -115.6400 eV; energy change = -50.7289 eV; symmetry: P-1 → P-1
Crystal structure generated by GEPA optimization (iteration 2)
Crystal structure generated by GEPA optimization (iteration 1)
Phase diagram of CrFe3N; eabovehull: 0.140243 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -43.5861 eV; energy change = -0.4593 eV; symmetry: P1 → P4/mmm
Crystal structure generated by GEPA optimization (iteration 24)
Phase diagram of Fe3BN; eabovehull: 1.187436 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -139.8431 eV; energy change = -28.1355 eV; symmetry: P4 → P2
Crystal structure generated by GEPA optimization (iteration 23)