SACADA Database Code: 13 Topology: lcs # of independent nodes (IN): 1 Transitivity: [1121] Space Group: Ia-3d Pearson: cI24 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
lcs (SACADA #13)		3.489		0.889				SACADA¹
lcs								doi: 10.1524/zkri.2013.1620
iceII-carbon		3.46	1.92		406.1			doi: 10.1021/jp5080048
BC12		3.461	2.98		393			doi: 10.1103/PhysRevB.91.214106
BC12		3.461			441	451	65.65	doi: 10.1088/0953-8984/28/47/475402
BC12		3.461			393			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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