SACADA Database Code: 66 Topology: 4/5/t1 # of independent nodes (IN): 1 Transitivity: [1322] Space Group: I41/a Pearson: tI16 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
4/5/t1 (SACADA #66)		3.649		0.942				SACADA¹
I41/a					346			doi: 10.1103/PhysRevB.91.214104
BT8		3.508			333			doi: 10.1103/PhysRevB.94.174102

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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