Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -60.9992 eV; energy change = -0.0493 eV; symmetry: P4/mmm → P4/mmm
Fe5PB2 (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm) (missed expected composition: Fe5PB2)
Phase diagram of Fe4CoB2P; eabovehull: 0.404030 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -59.7835 eV; energy change = -18.0678 eV; symmetry: Pm → Pm
Fe4CoB2P (space group: Pm #6, crystal system: monoclinic, point group: m)
Phase diagram of Fe2CoSiN; eabovehull: 0.400746 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -38.1442 eV; energy change = 0.0000 eV; symmetry: P4/mmm → P4/mmm
Fe2CoSiN (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)
Phase diagram of Fe2CoSiB; eabovehull: 1.178296 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -32.3961 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 MnFe3Si; eabovehull: 1.230595 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -35.0915 eV; energy change = 0.0000 eV; symmetry: Pm-3m → Pm-3m
Fe3MnSi (space group: Pm-3m #221, crystal system: cubic, point group: m-3m) (missed expected composition: Fe3MnSi)
Phase diagram of Fe4CoB2P; eabovehull: 0.404065 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -59.7834 eV; energy change = -18.0683 eV; symmetry: Pm → Pm
Fe4CoPB2 (space group: Pm #6, crystal system: monoclinic, point group: m) (missed expected composition: Fe4CoPB2)
Phase diagram of Fe3CoSiN3; eabovehull: 1.510628 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -53.8882 eV; energy change = -3.3769 eV; symmetry: Pm-3m → R3
Fe3CoSiN (space group: Pm-3m #221, crystal system: cubic, point group: m-3m) (missed expected composition: Fe3CoSiN)