SACADA Database Code: 264 Topology: 46T17 # of independent nodes (IN): 6 Transitivity: [6(10)95] Space Group: Pbam Pearson: oP24-I Coordination Number (CN): 4 Year: 2015  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
46T17 (SACADA #264)		3.499		0.144				SACADA¹
oP24-I	0-20	3.409	4.7		418		91.1	doi: 10.1039/c4cp04569f
Pbam			4.57		416			doi: 10.1103/PhysRevB.91.214104

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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