Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -32.3957 eV; energy change = 0.0000 eV; symmetry: P4/mmm → P4/mmm
Fe2CoSiB (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)
Phase diagram of Fe3CoN; eabovehull: 0.096227 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -40.7103 eV; energy change = 0.0000 eV; symmetry: Pm-3m → Pm-3m
Fe3CoN (space group: Pm-3m #221, crystal system: cubic, point group: m-3m)
Phase diagram of Fe2NiB; eabovehull: 0.396654 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -28.8089 eV; energy change = -0.1254 eV; symmetry: Pmm2 → Pmm2
Fe2NiB (space group: Pmm2 #25, crystal system: orthorhombic, point group: mm2)
Phase diagram of Fe2CoNiN; eabovehull: 0.121790 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -37.9378 eV; energy change = 0.0000 eV; symmetry: P4/mmm → P4/mmm
Fe2CoNiN (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)
Phase diagram of MnFe3CoB; eabovehull: 0.668074 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -45.5144 eV; energy change = -0.4060 eV; symmetry: P-6m2 → P-6m2
Fe3CoMnB (space group: P-6m2 #187, crystal system: hexagonal, point group: -6m2) (missed expected composition: Fe3CoMnB)
Phase diagram of Fe2CoB; eabovehull: 0.370850 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -30.1664 eV; energy change = -0.0483 eV; symmetry: Pmm2 → Pmm2
Fe2CoB (space group: Pmm2 #25, crystal system: orthorhombic, point group: mm2)
Phase diagram of MnFe2CoSi; eabovehull: 1.666052 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -12.4833 eV; energy change = -0.0103 eV; symmetry: P4/mmm → P4/mmm
Fe2CoMnSi (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm) (missed expected composition: Fe2CoMnSi)