Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -81.9826 eV; energy change = -62.8070 eV; symmetry: I4/mmm → P1
Crystal structure generated by TreeQuest optimization (file 5)
Phase diagram of ZrFe8(CoN)2; eabovehull: 0.558422 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -207.5392 eV; energy change = -850.0231 eV; symmetry: I4/mmm → Pc
Crystal structure generated by TreeQuest optimization (file 4)
Phase diagram of ZrFe8Co2N; eabovehull: 0.624625 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -189.7933 eV; energy change = -60.2673 eV; symmetry: I4/mmm → I4/mmm
Crystal structure generated by TreeQuest optimization (file 3)
Crystal structure generated by TreeQuest optimization (file 2)
Phase diagram of FeCo2SiB2; eabovehull: 0.742960 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -79.4801 eV; energy change = -69.2251 eV; symmetry: I4/mmm → I4/mmm
Crystal structure generated by TreeQuest optimization (file 1)
Phase diagram of Fe3Co3BP2; eabovehull: 0.190414 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -66.5817 eV; energy change = -0.9401 eV; symmetry: P-62m → P-62m
Crystal structure generated by TreeQuest optimization (file 16)
Crystal structure generated by TreeQuest optimization (file 15)
Phase diagram of Fe3SiB2; eabovehull: 0.749332 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -168.6674 eV; energy change = -287.6579 eV; symmetry: I4/mcm → P1
Crystal structure generated by TreeQuest optimization (file 14)
Phase diagram of Fe2CoB2Mo; eabovehull: 0.845540 eV/atom; predicted_stable: False