Structure | Relative energy / (eV atom-1) | Cohesive energy / (eV atom-1) |
---|---|---|
Graphite | 0.000 | 7.856 |
Diamond | 0.112 | 7.744 |
Spiro-Carbon | 1.079 | 6.777 |
Carbyne | 1.106 | 6.750 |
ABF-Carbon | 1.121 | 6.735 |
Y-Carbon | 1.189 | 6.667 |
Y-II Carbon | 1.177 | 6.679 |
T-Carbon | 1.342 | 6.514 |
T-II Carbon | 1.554 | 6.302 |
Diamond | T-Carbon | ABF-Carbon | |
---|---|---|---|
C11 / GPa | 1106.43 | 202.22 | 481.72 |
C33 / GPa | 1106.43 | 202.22 | 560.51 |
C44 / GPa | 591.34 | 63.52 | 120.03 |
C66 / GPa | 591.34 | 63.52 | 38.09 |
C12 / GPa | 153.08 | 165.64 | 10.04 |
C13 / GPa | 153.08 | 165.64 | 90.13 |
B / GPa | 470.86 | 177.80 | 209.37 |
G / GPa | 542.45 | 38.64 | 120.30 |
E / GPa | 1175.83 | 107.88 | 301.40 |
ν / (g cm-3) | 0.084 | 0.396 | 0.253 |
ρ / (g cm-3) | 3.52 | 1.51 | 1.89 |