Crystal structure is described in terms of the geometry of arrangement of particles in the unit cells. The unit cell is defined as the smallest … See more

By considering the arrangement of atoms relative to each other, their coordination numbers, interatomic distances, types of bonding, etc., it is possible to form a general view of the … See more

The difficulty of predicting stable crystal structures based on the knowledge of only the chemical composition has long been a stumbling block on the way to fully computational materials design. Now, with more powerful algorithms and high-performance … See more

The defining property of a crystal is its inherent symmetry. Performing certain symmetry operations on the crystal lattice leaves it unchanged. All crystals have translational symmetry in three directions, but some have other symmetry elements as well. For … See more

Real crystals feature defects or irregularities in the ideal arrangements described above and it is these defects that critically determine many of the electrical and … See more

Polymorphism is the occurrence of multiple crystalline forms of a material. It is found in many crystalline materials including See more

Twenty of the 32 crystal classes are piezoelectric, and crystals belonging to one of these classes (point groups) display piezoelectricity. All piezoelectric classes lack See more