Phase diagram of Fe8Co2BN; eabovehull: 0.365150 eV/atom; predicted_stable: False
Phase diagram of Fe8CoBN; eabovehull: 0.289665 eV/atom; predicted_stable: False
Crystal structure generated by GEPA optimization (iteration 13)
Phase diagram of Fe8CoBN; eabovehull: 0.289667 eV/atom; predicted_stable: False
Crystal structure generated by GEPA optimization (iteration 12)
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -95.3607 eV; energy change = -18.1101 eV; symmetry: P1 → P1
Crystal structure generated by GEPA optimization (iteration 11)
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -89.2388 eV; energy change = -17.5633 eV; symmetry: P1 → P1
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -89.2395 eV; energy change = -17.5639 eV; symmetry: P1 → P1
Phase diagram of Fe10CoB2N; eabovehull: 0.227037 eV/atom; predicted_stable: False
Crystal structure generated by GEPA optimization (iteration 10)
Crystal structure generated by GEPA optimization (iteration 9)
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -113.7776 eV; energy change = -22.1339 eV; symmetry: P1 → P1
Phase diagram of Fe8CoBN2; eabovehull: 0.312802 eV/atom; predicted_stable: False
Crystal structure generated by GEPA optimization (iteration 8)
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -97.3591 eV; energy change = -21.0862 eV; symmetry: P1 → P1
Phase diagram of Fe4BN; eabovehull: 0.380156 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 = -98.0484 eV; energy change = -25.9754 eV; symmetry: P1 → P1
Crystal structure generated by GEPA optimization (iteration 6)