Interesting electronic and structural properties of C3P4

We performed first-principles calculation on several possible polymorphs of C 3 P 4 to investigate the structural and electronic properties of hypothetical carbon phosphide solids. Our calculations predict that C 3 P 4 is metallic within LDA. Unlike C 3 N 4 , the calculations also predict that pseudocubic-C 3 P 4 is the most energetically favored structure at zero pressure. Being also the densest structure at zero pressure, it is perhaps only possible to synthesize pseudocubic-C 3 P 4 .