@ all

Phase diagram of Fe2CoB; eabovehull: 0.370850 eV/atom; predicted_stable: False

Fe2CoB (Pmm2) 3 - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -30.1664 eV; energy change = -0.0483 eV; symmetry: Pmm2 → Pmm2

Fe2CoB (Pmm2) 3

Fe2CoB (space group: Pmm2 #25, crystal system: orthorhombic, point group: mm2)

MnFe2CoSi phase diagram 2

Phase diagram of MnFe2CoSi; eabovehull: 1.666052 eV/atom; predicted_stable: False

MnFe2CoSi (P4/mmm) 2 - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -12.4833 eV; energy change = -0.0103 eV; symmetry: P4/mmm → P4/mmm

MnFe2CoSi (P4/mmm) 2

Fe2CoMnSi (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm) (missed expected composition: Fe2CoMnSi)

TiFe2CoN phase diagram 2

Phase diagram of TiFe2CoN; eabovehull: 0.483543 eV/atom; predicted_stable: False

TiFe2CoN (P4/mmm) 2 - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -41.3992 eV; energy change = 0.0000 eV; symmetry: P4/mmm → P4/mmm

TiFe2CoN (P4/mmm) 2

Fe2CoTiN (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm) (missed expected composition: Fe2CoTiN)

MnFe3CoB2 phase diagram

Phase diagram of MnFe3CoB2; eabovehull: 0.362390 eV/atom; predicted_stable: False

MnFe3CoB2 (Pm) - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -54.4742 eV; energy change = -38.3117 eV; symmetry: Pm → Pm

MnFe3CoB2 (Pm)

Fe3CoMnB2 (space group: Pm #6, crystal system: monoclinic, point group: m) (missed expected composition: Fe3CoMnB2)

AlFe2Co4B phase diagram

Phase diagram of AlFe2Co4B; eabovehull: 0.186440 eV/atom; predicted_stable: False

AlFe2Co4B (P4/mmm) - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -56.5494 eV; energy change = -0.0007 eV; symmetry: P4/mmm → P4/mmm

AlFe2Co4B (P4/mmm)

Co4Fe2AlB (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm) (missed expected composition: Co4Fe2AlB)

Mn2AlFeC phase diagram

Phase diagram of Mn2AlFeC; eabovehull: 0.000000 eV/atom; predicted_stable: True

Mn2AlFeC (P4/mmm) - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -40.6336 eV; energy change = 0.0000 eV; symmetry: P4/mmm → P4/mmm

Mn2AlFeC (P4/mmm)

Mn2FeAlC (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm) (missed expected composition: Mn2FeAlC)

Fe4CoSiB2 phase diagram 3

Phase diagram of Fe4CoSiB2; eabovehull: 0.418959 eV/atom; predicted_stable: False

Fe4CoSiB2 (P4/mmm) 3 - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -59.4670 eV; energy change = -0.0041 eV; symmetry: P4/mmm → P4/mmm