SACADA Database Code: 262 Topology: 46T7 # of independent nodes (IN): 6 Transitivity: [6(10)(10)5] Space Group: C2/m Pearson: mS24 Coordination Number (CN): 4 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
46T7 (SACADA #262)		3.440		0.109				SACADA¹
Z-carbon-3			5.27		443		92.6	doi: 10.1021/ja301582d
12C								doi: 10.1103/PhysRevB.88.014102

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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