Phase diagram of Mn8Al8C; e_above_hull: 0.315834 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -111.2538 eV; energy change = -38.8208 eV; symmetry: P4/m → P1
Crystal structure generated by GEPA optimization (iteration 2)
Phase diagram of Mn8Al8C; e_above_hull: 1.072304 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -85.6817 eV; energy change = -99.9416 eV; symmetry: P4/mmm → P1
Crystal structure generated by GEPA optimization (iteration 1)
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -7.2183 eV; energy change = 2.4552 eV; symmetry: P4/mmm → P4/mmm
Crystal structure generated by GEPA optimization (iteration 12)
Phase diagram of Fe4CoSiB2; e_above_hull: 0.173824 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -245.7428 eV; energy change = -455.6124 eV; symmetry: I4/mcm → P1
Crystal structure generated by GEPA optimization (iteration 11)
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -24.1489 eV; energy change = -0.9037 eV; symmetry: P4/mmm → P1
Crystal structure generated by GEPA optimization (iteration 10)
Phase diagram of Fe2B; e_above_hull: 0.000062 eV/atom; predicted_stable: True
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -98.1390 eV; energy change = -9.9987 eV; symmetry: I4/mcm → I4/mcm
Crystal structure generated by GEPA optimization (iteration 9)
Phase diagram of Fe2B; e_above_hull: 0.000000 eV/atom; predicted_stable: True
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -98.1402 eV; energy change = -113.4863 eV; symmetry: I4/mcm → I4/mcm
Crystal structure generated by GEPA optimization (iteration 8)
Phase diagram of MnAlC2; e_above_hull: 5.778611 eV/atom; predicted_stable: False