SACADA Database Code: 322 Topology: nas-d # of independent nodes (IN): 11 Transitivity: [(11)(20)(13)3] Space Group: Pa-3 Pearson: cP232 Coordination Number (CN): 4 Year: 2013  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
nas-d (SACADA #322)		3.022		0.206				SACADA¹
KXI		3.00	3.92		355.1		81.8	doi: 10.1063/1.4802002

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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