Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -7.8531 eV; energy change = -0.0127 eV; symmetry: P3m1 → P3m1
BaCaCu (space group: P3m1 #156, crystal system: trigonal, point group: 3m)
Phase diagram of BaCaCu; e_above_hull: 0.153296 eV/atom; predicted_stable: False
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å)
Supercell 2x2x2 of BaCaCu (Space group: P3m1, 48 symmetry operations)