Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -1684.2686 eV; energy change = -0.0681 eV; symmetry: P1 → P1

Standalone, embeddable HTML with MatterViz Trajectory viewer

Supercell 2x2x2 of Tm3Ru (Space group: P-1, 16 symmetry operations)

Phase diagram of Tm3Ru; eabovehull: 0.097735 eV/atom; predicted_stable: False

Phase diagram of YLuAl2; eabovehull: 0.019939 eV/atom; predicted_stable: True

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -47.6003 eV; energy change = -0.1171 eV; symmetry: P-1 → P-1

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -80.1591 eV; energy change = -0.7698 eV; symmetry: P42/mmc → P42/mmc

Phase diagram of Ba2SnHg3; eabovehull: 0.100615 eV/atom; predicted_stable: False

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -136.2836 eV; energy change = -10.2749 eV; symmetry: P1 → P1

Phase diagram of Pr2(AlCu)5; eabovehull: 0.130446 eV/atom; predicted_stable: False

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -103.0700 eV; energy change = -4.3104 eV; symmetry: P1 → P1

Phase diagram of Pr2(AlCu)5; eabovehull: 0.156233 eV/atom; predicted_stable: False

Phase diagram of ZrCoSi2; eabovehull: 0.356006 eV/atom; predicted_stable: False