SACADA Database Code: 88 Topology: ato # of independent nodes (IN): 1 Transitivity: [1463] Space Group: R-3m Pearson: hR36 Coordination Number (CN): 4 Year: 1993  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
36-hexa(3,3)ato (SACADA #88)		3.037		0.528				SACADA¹
tubulane								doi: 10.1016/0009-2614(93)80059-X
3D (3,3)-III					356.04	345.09	85.3	doi: 10.1038/srep01331
γ-C		1.56	2.43		341		72.4	doi: 10.1016/j.physleta.2015.06.037

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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