Phase diagram of Fe3BN; eabovehull: 0.730260 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -158.4519 eV; energy change = -46.7446 eV; symmetry: P4 → P1
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -156.7588 eV; energy change = -45.0513 eV; symmetry: P4 → P1
Crystal structure generated by GEPA optimization (iteration 4)
Crystal structure generated by GEPA optimization (iteration 3)
Phase diagram of CrFe3N; eabovehull: 0.140231 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -43.5861 eV; energy change = -0.4594 eV; symmetry: P1 → P4/mmm
Crystal structure generated by GEPA optimization (iteration 2)
Phase diagram of CrFe3N; eabovehull: 0.140285 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 1)
Phase diagram of CrFe7; eabovehull: 0.000000 eV/atom; predicted_stable: True
Crystal structure generated by TreeQuest optimization (file 2)
Phase diagram of FeCoNiB; eabovehull: 0.161177 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -84.9718 eV; energy change = -9.3995 eV; symmetry: P1 → P1
Matra Genoa Gen
Phase diagram of Fe2CoNiB; eabovehull: 0.180093 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -292.9291 eV; energy change = -78.3108 eV; symmetry: P1 → P1
GPT-5 one shot cif produced given a GEPA curated prompt
Phase diagram of Fe8Co5Ni3B2; eabovehull: 0.155891 eV/atom; predicted_stable: False