Unprecedented Crystal Structures with Surprising Chemistry Predicted by Scientists

Scientists have used high-pressure modeling to predict four new compounds made up of lithium and cesium, which have crystal structures that have never been seen before and can act as superconductors. The compounds were predicted using a crystal structure prediction algorithm called USPEX, which analyzed how high pressure might affect electronegativity. The discovery opens up new areas for scientists to explore and could lead to the development of materials useful for ultra-fast microchips and ultra-efficient power grid materials.