The team combined crystal structure search simulations based on ... and CO 2 with NaCl, a prototype ionic solid compound. The calculations show that these molecules, despite whether they are ...
Sodium Chloride is an alkali halide with an fcc crystal structure. The basis is two ions ... and a space filling model (b) of ionic hard spheres. The cohesive energy of NaCl is - 7.90 eV, with a ...