SACADA Database Code: 18 Topology: ths # of independent nodes (IN): 1 Transitivity: [1211] Space Group: C2/c Pearson: mS16 Coordination Number (CN): 2, 3 (1:1) Year: 1993  Download CIF File  Download PDF report

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Data

Name	Pressure, GPa	Density, g/cm³	Gap, eV	Relative energy, eV/atom	Bulk, GPa	Shear, GPa	Vickers, GPa	Refs
ths (SACADA #18)		1.820		0.581				SACADA¹
Trans hinged polydiacetylene		1.789						doi: 10.1038/365735a0

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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