First-principles and high-throughput computational techniques for materials discovery are now feasible because of significant advances in computing power. Large data sets of materials, e.g. AFLOW library , Open Quantum Materials Database (OQMD) , and Materials Project database , have spawned from running these calculations on millions of possible structures and stoichiometries. These databases generally list crystal characteristics and crystal shapes as established by density functional theory (DFT). However, the enormous computational overhead required to run these calculations on every possible crystal structure suggests a need for more efficient methods to traverse the materials space.