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FeCoCrB2 (space group: P4mm #99, crystal system: tetragonal, point group: 4mm) (missed expected composition: FeCoCrB2)

Fe2SiNi phase diagram 3

Phase diagram of Fe2SiNi; eabovehull: 0.178323 eV/atom; predicted_stable: False

Fe2SiNi (Pmm2) 1 - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -28.8506 eV; energy change = -0.0862 eV; symmetry: Pmm2 → Pmm2

Fe2SiNi (Pmm2) 1

Fe2NiSi (space group: Pmm2 #25, crystal system: orthorhombic, point group: mm2) (missed expected composition: Fe2NiSi)

MnFe2CoB phase diagram 2

Phase diagram of MnFe2CoB; eabovehull: 0.480927 eV/atom; predicted_stable: False

MnFe2CoB (P4/mmm) 2 - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -38.6231 eV; energy change = 0.0000 eV; symmetry: P4/mmm → P4/mmm

MnFe2CoB (P4/mmm) 2

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

Fe2CoSiB phase diagram 4

Phase diagram of Fe2CoSiB; eabovehull: 1.178377 eV/atom; predicted_stable: False

Fe2CoSiB (P4/mmm) 4 - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -32.3957 eV; energy change = 0.0000 eV; symmetry: P4/mmm → P4/mmm

Fe2CoSiB (P4/mmm) 4

Fe2CoSiB (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)

NbFe2CoB phase diagram 1

Phase diagram of NbFe2CoB; eabovehull: 1.134035 eV/atom; predicted_stable: False

NbFe2CoB (P4/mmm) 1 - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -36.8466 eV; energy change = 0.0000 eV; symmetry: P4/mmm → P4/mmm

NbFe2CoB (P4/mmm) 1

Fe2CoNbB (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm) (missed expected composition: Fe2CoNbB)

Fe4CoB2Mo phase diagram

Phase diagram of Fe4CoB2Mo; eabovehull: 0.532048 eV/atom; predicted_stable: False

Fe4CoB2Mo (P4/mmm) - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -63.1077 eV; energy change = -1.2367 eV; symmetry: P4/mmm → P4/mmm

Fe4CoB2Mo (P4/mmm)

Fe4CoMoB2 (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm) (missed expected composition: Fe4CoMoB2)

ZrFe2CoB phase diagram

Phase diagram of ZrFe2CoB; eabovehull: 0.601895 eV/atom; predicted_stable: False

ZrFe2CoB (P4/mmm) - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -38.2885 eV; energy change = 0.0000 eV; symmetry: P4/mmm → P4/mmm

ZrFe2CoB (P4/mmm)

Fe2CoZrB (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm) (missed expected composition: Fe2CoZrB)

Fe2CoWN phase diagram

Phase diagram of Fe2CoWN; eabovehull: 0.235927 eV/atom; predicted_stable: False