SACADA Database Code: 104 Topology: bcp-3,3,-I-4m2 # of independent nodes (IN): 2 Transitivity: [2332] Space Group: I-4m2 Pearson: tI12 Coordination Number (CN): 3 Year: 2001  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
bcp-3,3,-I-4m2 (SACADA #104)		2.263		1.069				SACADA¹
6(3)1-1a		2.18						doi: 10.1016/S0009-2614(01)00126-9

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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