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. 2016 Nov 18;6:37528. doi: 10.1038/srep37528

Table 3. Calculated elastic constants (Cij in GPa) and bulk moduli (B in GPa) of K4 phosphorus and orthorhombic black phosphorus (A17).

  C11 C22 C33 C44 C55 C66 C12 C13 C23 B
K4 223.6a — — 34.6a — — 82.4a — — 129.5a
  232.2b — — 31.7b — — 39.3b — — 103.6b
A17 43.8a 188.4a 16.0a 9.8a 2.9a 58.5a 34.5a −1.6a −4.6a 10.9a
  62.8b 199.8b 83.2b 29.8b 9.6b 80.6b 43.8b 1.6b 9.3b 36.2b

aOur calculated results at the PBE level.

bOur calculated results at the GGA-D2 level.