SACADA Database Code: 222 Topology: 44T32 # of independent nodes (IN): 4 Transitivity: [4764] Space Group: Imma Pearson: oI24 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
44T32 (SACADA #222)		3.408		0.150				SACADA¹
Z-CACB		3.365	4.196		405.41		82.01	doi: 10.1039/c2cp40531h
Z-CACB								doi: 10.3103/s1063457612060123
12E								doi: 10.1103/PhysRevB.88.014102
Z-CACB								doi: 10.1103/PhysRevB.93.085201

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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