SACADA Database Code: 54 Topology: pbp # of independent nodes (IN): 1 Transitivity: [1232] Space Group: Im-3m Pearson: cI48 Coordination Number (CN): 3 Year: 1992  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
pbp (SACADA #54)		2.015		0.318				SACADA¹
6.82 P		2.04	Metal					doi: 10.1103/PhysRevLett.68.2325
6.82 P								doi: 10.1098/rsta.1993.0045
6.82 P								doi: 10.1103/PhysRevB.47.1593
P688		2.28			228			doi: 10.1016/0956-7151(94)90210-0
6.82 P								doi: 10.1098/rsta.1996.0088
P688								doi: 10.1016/s0960-8974(97)00003-x
P688								doi: 10.1080/10641229809350239
P688			0.04		273	66.1		doi: 10.1088/1367-2630/5/1/123
P688								doi: 10.1088/1367-2630/5/1/126
BCZ_48								link
pbp								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.

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