SACADA Database Code: 600 Topology: 43T176-CA # of independent nodes (IN): 3 Transitivity: [37(10)7] Space Group: I4/mmm Pearson: tI48 Coordination Number (CN): 4 Year: 2021  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
43T176-CA (SACADA #600)		3.185		0.441	373	343.8	58.1	SACADA¹
43T176-CA								doi: 10.1038/s41524-021-00491-y

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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