SACADA Database Code: 53 Topology: pbg # of independent nodes (IN): 1 Transitivity: [1232] Space Group: Ia-3d Pearson: cI96 Coordination Number (CN): 3 Year: 1993  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
pbg (SACADA #53)		2.185		0.319				SACADA¹
G688								doi: 10.1103/PhysRevB.47.1593
G688		2.28			235			doi: 10.1016/0956-7151(94)90210-0
G688								doi: 10.1016/s0960-8974(97)00003-x
G688								doi: 10.1080/10641229809350239
G688								link
G688								doi: 10.1088/1367-2630/5/1/126
G688			1.5		293	93.3		doi: 10.1088/1367-2630/5/1/123
pbg								doi: 10.1007/s11224-016-0782-1

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