SACADA Database Code: 41 Topology: pcb # of independent nodes (IN): 1 Transitivity: [1222] Space Group: Im-3m Pearson: cI48 Coordination Number (CN): 2, 4 (2:1) Year: 2012  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
pcb (SACADA #41)		0.766		0.869				SACADA¹
supercubane C48								doi: 10.1021/jp3104479

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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