8 generated crystal structures with magnetic density 0.12, HHI score 0.3
8 generated crystal structures with magnetic density 0.14, HHI score 0.2
Phase diagram of Mn10Al2C; e_above_hull: 0.164387 eV/atom; predicted_stable: False
Phase diagram of FeCoNiBiS; e_above_hull: 0.293533 eV/atom; predicted_stable: False
Phase diagram of GaFe2CoN; e_above_hull: 0.104656 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -35.9396 eV; energy change = 0.0000 eV; symmetry: P4/mmm → P4/mmm
Fe2CoGaN (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm) (missed expected composition: Fe2CoGaN)
Phase diagram of Fe4CoSiB2; e_above_hull: 0.418971 eV/atom; predicted_stable: False
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 (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)
Phase diagram of Fe2CoSiB; e_above_hull: 1.178294 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -32.3961 eV; energy change = 0.0000 eV; symmetry: P4/mmm → P4/mmm
Fe2CoSiB (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)
Phase diagram of Fe3CoBN; e_above_hull: 0.647454 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -46.3235 eV; energy change = -0.9789 eV; symmetry: P4mm → P4mm
Fe3CoBN (space group: P4mm #99, crystal system: tetragonal, point group: 4mm)
Phase diagram of Fe4Co2SiN; e_above_hull: 0.651803 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -59.0970 eV; energy change = 0.0000 eV; symmetry: P4/mmm → P4/mmm
Fe4Co2SiN (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)
Phase diagram of MnFe2CoN; e_above_hull: 0.160853 eV/atom; predicted_stable: False