SACADA Database Code: 355 Topology: ajk8 # of independent nodes (IN): 31 Transitivity: [(31)(47)(32)(11)] Space Group: P63/mmc Pearson: hP340 Coordination Number (CN): 4 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
ajk8 (SACADA #355)		3.068		0.081				SACADA¹
Clathrate II-10H								doi: 10.1002/cphc.201300133

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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