FeBiNiCoS (space group: P3m1 #156, crystal system: trigonal, point group: 3m) (missed expected composition: FeBiNiCoS)

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -107.3938 eV; energy change = -31.0977 eV; symmetry: P4/mmm → P4/mmm

Mn12Al2C (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm) (missed expected composition: Mn12Al2C)

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -141.6875 eV; energy change = -36.2137 eV; symmetry: P4/mmm → P1

Mn14Al2C (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)

Phase diagram of MnAlC; eabovehull: 0.520723 eV/atom; predicted_stable: False

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -163.1270 eV; energy change = -0.0655 eV; symmetry: C2/m → C2/m

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -84.3190 eV; energy change = 0.0000 eV; symmetry: F-43m → F-43m

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -131.4364 eV; energy change = -0.0041 eV; symmetry: R-3m → R-3m

8 generated crystal structures for the chemical system Mn-Al-C

MatterGen generated Mn2AlC crystal (space group: P1 #1, crystal system: triclinic)

MatterGen generated Fe2GeS4 crystal (space group: P1 #1, crystal system: triclinic)

MatterGen generated FeGe2 crystal (space group: P1 #1, crystal system: triclinic)

Phase diagram of Mn2GaFe; eabovehull: 0.049479 eV/atom; predicted_stable: False

Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.07 THz

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -29.8719 eV; energy change = 0.0000 eV; symmetry: P4/mmm → P4/mmm

MatterGen generated Mn2GaFe crystal (space group: Pm #6, crystal system: monoclinic)