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Fe2CoTiB (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm) (missed expected composition: Fe2CoTiB)

ZrFe5Co2B phase diagram

Phase diagram of ZrFe5Co2B; e_above_hull: 0.289743 eV/atom; predicted_stable: False

ZrFe5Co2B (Imm2) - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -142.6487 eV; energy change = -14.9165 eV; symmetry: Imm2 → P1

ZrFe5Co2B (Imm2)

ZrFe10Co2B (space group: Imm2 #44, crystal system: orthorhombic, point group: mm2) (missed expected composition: ZrFe10Co2B)

CrFe2CoB phase diagram 1

Phase diagram of CrFe2CoB; e_above_hull: 0.575422 eV/atom; predicted_stable: False

CrFe2CoB (P4/mmm) 1 - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -38.6635 eV; energy change = 0.0000 eV; symmetry: P4/mmm → P4/mmm

CrFe2CoB (P4/mmm) 1

Fe2CoCrB (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm) (missed expected composition: Fe2CoCrB)

MnFe2CoSi (P4/mmm) - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -12.4775 eV; energy change = -0.0033 eV; symmetry: P4/mmm → P4/mmm

MnFe2CoSi (P4/mmm)

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

FeCo phase diagram 7

Phase diagram of FeCo; e_above_hull: 0.157958 eV/atom; predicted_stable: False

FeCo (P-6m2) 18 - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -15.3505 eV; energy change = 0.0000 eV; symmetry: P-6m2 → P-6m2

FeCo (P-6m2) 18

FeCo (space group: P-6m2 #187, crystal system: hexagonal, point group: -6m2)

Fe2CoB phase diagram 1

Phase diagram of Fe2CoB; e_above_hull: 0.370826 eV/atom; predicted_stable: False

Fe2CoB (Pmm2) 1 - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -30.1662 eV; energy change = -0.0480 eV; symmetry: Pmm2 → Pmm2

Fe2CoB (Pmm2) 1

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

Fe2CoBN phase diagram

Phase diagram of Fe2CoBN; e_above_hull: 0.942701 eV/atom; predicted_stable: False

Fe2CoBN (P4/mmm) - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -37.0231 eV; energy change = 0.0000 eV; symmetry: P4/mmm → P4/mmm

Fe2CoBN (P4/mmm)

Fe2CoBN (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)

AlFe2CoB phase diagram

Phase diagram of AlFe2CoB; e_above_hull: 1.069320 eV/atom; predicted_stable: False

AlFe2CoB (P4/mmm) - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -31.2344 eV; energy change = 0.0000 eV; symmetry: P4/mmm → P4/mmm