MoS2 (best of 5 space groups, final: P-6m2 #187, optimized: 400 steps, cell relaxed, symmetry refined)
Phonon band structure with Orb v3 conservative inf OMat (supercell [5, 5, 1], Δ=0.01 Å); no imaginary modes; min freq = -0.00 THz
Supercell 3x3x3 of MoS2 (Space group: P-6m2, 324 symmetry operations)
Explore monolayers and layered materials with reusable structures and calculations.