Structural phase transition 3 Calculations 2 X ray diffraction 2 Barium 1 Barium compounds 1 Bond angle 1 Brillouin zones 1 Coherent X-rays 1 Critical pressures 1 Crystal lattices 1 Crystals structures 1 DFT-relaxed structural models 1 Degrees of freedom (mechanics) 1 Density functional theory 1 Density-functional theory calculations 1 Effective potential methods 1 Electronic properties 1 Electronic structure 1 Electronic.structure 1 Electronics materials 1 First principles 1 First-principle density-functional theories 1 High pressure 1 Hydrostatic pressure 1 Lattice degree of freedom 1 Molybdenum compounds 1 Nanocrystals 1 Orbital degree of freedom 1 Pair creation 1 Phase Transition 1