SACADA Database Code: 159 Topology: mep # of independent nodes (IN): 3 Transitivity: [3432] Space Group: Pm-3n Pearson: cP46 Coordination Number (CN): 4 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
mep (SACADA #159)		3.076		0.108				SACADA¹
C-MEP								doi: 10.1002/anie.199307011
C-46								doi: 10.1103/PhysRevB.49.8048
C-46					364			doi: 10.1016/0009-2614(95)00946-2
sc-C46								doi: 10.1007/BF02451606
sc-C46								nonelink
clathrate I								link
C-46								doi: 10.1088/0953-8984/13/26/313
C-46								doi: 10.1103/PhysRevB.67.035211
C-46								doi: 10.1016/j.apsusc.2003.11.043
C-46								doi: 10.1103/PhysRevLett.92.215505
clathrate I								doi: 10.1080/08957950500319464
C-46								doi: 10.1016/j.crci.2009.05.004
C-46		3.13	3.7		396	403		doi: 10.1103/PhysRevB.82.075209
sc-C46								doi: 10.1063/1.3359682
clathrate I								doi: 10.1021/ic102178d
clathrate I		3.08			402			doi: 10.1021/jp205676p
KII		3.06	4.11		368.7		83.0	doi: 10.1063/1.4802002
sc-C46								doi: 10.1007/978-94-007-6371-5_4
clat46					368			doi: 10.1103/PhysRevB.91.214104

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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