SACADA Database Code: 244 Topology: 45T12 # of independent nodes (IN): 5 Transitivity: [5894] Space Group: C2/c Pearson: mS32 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
45T12 (SACADA #244)		3.363		0.176				SACADA¹
X-carbon								doi: 10.1103/PhysRevB.85.201407
X-carbon								doi: 10.1021/ja304380p
X-carbon								doi: 10.3103/s1063457612060093
X-carbon					404			doi: 10.1016/j.carbon.2014.06.050
X-carbon								doi: 10.1088/0256-307x/32/9/096201

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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