SACADA Database Code: 302 Topology: 49T4 # of independent nodes (IN): 9 Transitivity: [9(14)(14)8] Space Group: P21/m Pearson: mP18 Coordination Number (CN): 4 Year: 2014  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
49T4 (SACADA #302)		3.432		0.080				SACADA¹
M585		3.507	4.212		462.3		78.85	doi: 10.1016/j.ssc.2013.11.035
M585								doi: 10.1088/0256-307x/32/9/096201
M585								doi: 10.1103/PhysRevB.93.085201

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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