Phase diagram of FeNiB; e_above_hull: 0.435005 eV/atom; predicted_stable: False

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -80.1111 eV; energy change = -22.0417 eV; symmetry: Pnma → P1

Crystal structure generated by TreeQuest optimization (file 27)

Phase diagram of FeCoSiB2; e_above_hull: 0.395325 eV/atom; predicted_stable: False

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -68.8040 eV; energy change = -10.1449 eV; symmetry: I4/mcm → P1

Crystal structure generated by TreeQuest optimization (file 26)

Phase diagram of TiAlN2; e_above_hull: 0.285597 eV/atom; predicted_stable: False

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -66.7689 eV; energy change = -14.7900 eV; symmetry: P6_3/mmc → P-6m2

Crystal structure generated by TreeQuest optimization (file 25)

Phase diagram of FeCoSiB2; e_above_hull: 0.313241 eV/atom; predicted_stable: False

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -69.6197 eV; energy change = -10.9603 eV; symmetry: I4/mcm → P1

Crystal structure generated by TreeQuest optimization (file 24)

Phase diagram of Fe2Ni2B; e_above_hull: 1.274741 eV/atom; predicted_stable: False

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -28.6227 eV; energy change = -10.7688 eV; symmetry: P4/mmm → P1

Crystal structure generated by TreeQuest optimization (file 23)

Phase diagram of FeCoB2C; e_above_hull: 0.480239 eV/atom; predicted_stable: False

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -74.5138 eV; energy change = -15.3479 eV; symmetry: I4/mcm → P1

Crystal structure generated by TreeQuest optimization (file 22)

Phase diagram of FeNiB2C; e_above_hull: 0.526920 eV/atom; predicted_stable: False

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -70.9034 eV; energy change = -15.6288 eV; symmetry: I4/mcm → P1