Skip to main content
. 2015 May 6;5:9870. doi: 10.1038/srep09870

Table 1. Hardness (GPa), computed by microscopic models, enthalpy of formation (EF) (eV/atom), and atomic density (atoms/Å3) for diamond and stable C-N phases at zero pressure.

Structures EF density Hardness (GPa)
Oganov Šimůnek Gao Others
Diamond   0.176 89.2 90.7 93.0 93.6a
Inline graphic 0.813 0.167 85.6 89.0 82.2 77.4b
P31c-C3N4 0.504 0.161 78.1 81.3 72.0 82.7c
Cm-C3N4 0.571 0.165 75.5 82.0 71.7  
Inline graphic 0.602 0.167 80.2 83.0 70.5  
Inline graphic 0.710 0.173 83.8 86.8 75.1 92c
Cmc21-C3N4 0.644 0.167 79.1 76.1 72.7  
P42/m-CN 0.395 0.155 58.3 70.5 54.7  
Pnnm-CN 0.422 0.160 59.6 72.7 57.0 62.3d

aReference38. bReference11. cReference21.dReference32.