SACADA Database Code: 148 Topology: 3,4T179 # of independent nodes (IN): 2 Transitivity: - Space Group: P63/mcm Pearson: hP24 Coordination Number (CN): 3, 4 (1:1) Year: 2014  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
3,4T179 (SACADA #148)		2.768		0.147				SACADA¹
Hex-C24		2.84	Metal		330.38	290.67	91.66	doi: 10.1039/c3tc32083a
Hex-C24		2.839			342	275		doi: 10.1021/acs.cgd.5b01490

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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