@mmoderwell

Phase diagram of FeCoNi; e_above_hull: 0.126083 eV/atom; predicted_stable: False

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -21.1431 eV; energy change = -0.0228 eV; symmetry: P3m1 → P3m1

FeNiCo (space group: P3m1 #156, crystal system: trigonal, point group: 3m)

Sweet pic I took recently. Testing out uploading a file from my phone now that Ouro is mobile friendly.

Phase diagram of FeCoNi; e_above_hull: 0.059214 eV/atom; predicted_stable: False

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -85.3750 eV; energy change = -0.0007 eV; symmetry: Cmmm → Cmmm

Phase diagram of Fe4H; e_above_hull: 0.090332 eV/atom; predicted_stable: False

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -36.6632 eV; energy change = 0.0000 eV; symmetry: P4/mmm → P4/mmm

8 generated crystal structures with magnetic density 0.15

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -145.2329 eV; energy change = -0.0072 eV; symmetry: Cmmm → Cmmm

Phase diagram of BaCaCu; e_above_hull: 0.153296 eV/atom; predicted_stable: False