SACADA Database Code: 649 Topology: 44T15-CA # of independent nodes (IN): 4 Transitivity: [4(10)84] Space Group: P21/c Pearson: mP16 Coordination Number (CN): 4 Year: 2023  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
44T15-CA (SACADA #649)		3.494		0.429	419.8	476.1	89.5	SACADA¹
44T15-CA								doi: 10.1107/S205252062300255X

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.

Click here for more details