SACADA Database Code: 189 Topology: 43T129 # of independent nodes (IN): 3 Transitivity: [3797] Space Group: Immm Pearson: oI24 Coordination Number (CN): 4 Year: 2012  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
43T129 (SACADA #189)		3.472		0.107				SACADA¹
B-B1AL2R2	20	3.54			456.3	504.4	82.7	doi: 10.1103/PhysRevLett.108.135501
12A								doi: 10.1103/PhysRevB.88.014102

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