SACADA Database Code: 205 Topology: 33,4T79 # of independent nodes (IN): 4 Transitivity: [4442] Space Group: P42/mmc Pearson: tP14 Coordination Number (CN): 3, 4 (6:1) Year: 2013  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
33,4T79 (SACADA #205)		2.945		0.330				SACADA¹
T14		2.923			349.6			doi: 10.1073/pnas.1311028110

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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