Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -76.7651 eV; energy change = -0.0401 eV; symmetry: Imm2 → Imm2

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -29.8209 eV; energy change = -0.0001 eV; symmetry: I4/mmm → I4/mmm

Fe3Ge (space group: I4/mmm #139, crystal system: tetragonal, point group: 4/mmm)

16 generated crystal structures for the chemical system Fe-Co-B

Phase diagram of Fe12Co4B3; eabovehull: 1.230313 eV/atom; predicted_stable: False

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -129.8927 eV; energy change = -16.1968 eV; symmetry: P4/mmm → P4/mmm

Fe12Co4B (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -145.9678 eV; energy change = -179.0220 eV; symmetry: P6/mmm → P1

Fe12Co6B (space group: P6/mmm #191, crystal system: hexagonal, point group: 6/mmm)

C9H8NO2 (space group: P1 #1, crystal system: triclinic, point group: 1)

C19H22N4O4S (space group: P1 #1, crystal system: triclinic, point group: 1)

Fe2O8Sr3Tl (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)

FeNiCo (space group: P2/m #10, crystal system: monoclinic, point group: 2/m)

MgNiV (space group: P-1 #2, crystal system: triclinic, point group: -1)

4 generated crystal structures for the chemical system Fe-Co-Ni

16 generated crystal structures for the chemical system Fe-Co-Ni

Relaxed with Orb v3; 0.01 eV/Å threshold; final energy = -238.4837 eV; energy change = -6.1241 eV; symmetry: P1 → P1