SACADA Database Code: 291 Topology: 48T16 # of independent nodes (IN): 8 Transitivity: [8(14)(12)7] Space Group: C2/m Pearson: mS32 Coordination Number (CN): 4 Year: 2015  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
48T16 (SACADA #291)		3.498		0.108				SACADA¹
mS32	0-20	3.418	4.5		415		90.8	doi: 10.1039/c4cp04569f

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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