SACADA Database Code: 231 Topology: 44T38 # of independent nodes (IN): 4 Transitivity: [49(12)9] Space Group: Cmmm Pearson: oS32 Coordination Number (CN): 4 Year: 1997  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
44T38 (SACADA #231)		3.477		0.083				SACADA¹
(RL3)2								doi: 10.1016/S0379-6779(97)81165-4
oC32			3.00		457.4	522.2	96.2	doi: 10.1039/c3cp51746b
oC32								doi: 10.1088/0256-307x/32/9/096201
oC32								doi: 10.1103/PhysRevB.93.085201

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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