SACADA Database Code: 177 Topology: 3,42T242 # of independent nodes (IN): 3 Transitivity: [3566] Space Group: P4/mbm Pearson: tP20 Coordination Number (CN): 3, 4 (1:4) Year: 2016  Download CIF File  Download PDF report

Style:  Wireframe   Capped sticks   Spacefill   Ball&Sticks Labels:  No Labels   All Atoms Translations:  {1x1x1}   {2x2x2}  {3x3x3}   Fullscreen Mode  Fullscreen Mode (Close)

Data

Name	Pressure, GPa	Density, g/cm³	Gap, eV	Relative energy, eV/atom	Bulk, GPa	Shear, GPa	Vickers, GPa	Refs
3,42T242 (SACADA #177)		2.901		0.494				SACADA¹
C20-D		2.97	1.26					doi: 10.1016/j.carbon.2016.08.015

¹ We apply the density functional theory (DFT) approach by using the Vienna Ab Initio Simulation Package (VASP) to calculate the total energy and properties of carbon allotropes.

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