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Fe10Co2ZrN (space group: P-1 #2, crystal system: triclinic, point group: -1) (missed expected composition: Fe10Co2ZrN)

Fe2CoB phase diagram 2

Phase diagram of Fe2CoB; eabovehull: 0.370814 eV/atom; predicted_stable: False

Fe2CoB (Pmm2) 2 - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -30.1663 eV; energy change = -0.0482 eV; symmetry: Pmm2 → Pmm2

Fe2CoB (Pmm2) 2

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

MnAlFeCo phase diagram 4

Phase diagram of MnAlFeCo; eabovehull: 0.107970 eV/atom; predicted_stable: False

MnAlFeCo (P4mm) - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -29.1585 eV; energy change = -0.0152 eV; symmetry: P4mm → P4mm

MnAlFeCo (P4mm)

FeCoMnAl (space group: P4mm #99, crystal system: tetragonal, point group: 4mm) (missed expected composition: FeCoMnAl)

Fe4CoSiB2 phase diagram

Phase diagram of Fe4CoSiB2; eabovehull: 0.418972 eV/atom; predicted_stable: False

Fe4CoSiB2 (P4/mmm) - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -59.4669 eV; energy change = -0.0040 eV; symmetry: P4/mmm → P4/mmm

Fe4CoSiB2 (P4/mmm)

Fe4CoSiB2 (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)

TiFe4CoB2 phase diagram

Phase diagram of TiFe4CoB2; eabovehull: 0.452247 eV/atom; predicted_stable: False

TiFe4CoB2 (P4/mmm) - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -61.8767 eV; energy change = -0.0033 eV; symmetry: P4/mmm → P4/mmm

TiFe4CoB2 (P4/mmm)

Fe4CoTiB2 (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm) (missed expected composition: Fe4CoTiB2)

MnFe2CoB phase diagram

Phase diagram of MnFe2CoB; eabovehull: 0.480940 eV/atom; predicted_stable: False

MnFe2CoB (P4/mmm) - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -38.6230 eV; energy change = 0.0000 eV; symmetry: P4/mmm → P4/mmm

MnFe2CoB (P4/mmm)

Fe2CoMnB (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm) (missed expected composition: Fe2CoMnB)

FeCo2Si phase diagram 2

Phase diagram of FeCo2Si; eabovehull: 0.163211 eV/atom; predicted_stable: False

FeCo2Si (Pmm2) - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -28.8717 eV; energy change = -0.0010 eV; symmetry: Pmm2 → Pmm2

FeCo2Si (Pmm2)

Co2FeSi (space group: Pmm2 #25, crystal system: orthorhombic, point group: mm2) (missed expected composition: Co2FeSi)

VFe2CoN phase diagram

Phase diagram of VFe2CoN; eabovehull: 0.488005 eV/atom; predicted_stable: False