SACADA Database Code: 349 Topology: ajk12 # of independent nodes (IN): 20 Transitivity: [(20)(35)(34)(21)] Space Group: Pm-3n Pearson: cP644 Coordination Number (CN): 4 Year: 2011  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
ajk12 (SACADA #349)		3.380		0.273				SACADA¹
Clathrate I-280		3.39	5.6					doi: 10.1021/ic102178d

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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