SACADA Database Code: 448 Topology: nbo-x-d-4,4-C2/m-2 # of independent nodes (IN): 2 Transitivity: [2451] Space Group: I2/m Pearson: mS10 Coordination Number (CN): 4 Year: 2017  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
nbo-x-d-4,4-C2/m-2 (SACADA #448)		3.170		1.401				SACADA¹
G154								doi: 10.1002/cphc.201700151

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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