Abstract

The current status of our understanding of Quantum Mechanics is that if one specifies the chemical formula of a compound (e.g., CuAu, or GaAs, or NiPt) it is still impossible to predict if this material is a superconductor or not, but it is now possible to predict its crystal structure. This is a nontrivial accomplishment for there are as many as 2N possible structures for a binary compound. This article reviews this classic question of structural chemistry and condensed matter physics: How can one figure out which of the astronomic number of possible crystal structures is selected by Nature?

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