SACADA Database Code: 37 Topology: lon # of independent nodes (IN): 1 Transitivity: [1222] Space Group: P63/mmc Pearson: hP4 Coordination Number (CN): 4 Year: 1967  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
Hexagonallon (SACADA #37)		3.514		0.021				SACADA¹
Lonsdaleite								doi: 10.1038/214587a0
L2		3.521	3.7		405.3			doi: 10.1016/S0379-6779(97)81165-4
Lonsdaleite		3.511	3.05					doi: 10.1006/jssc.1999.8448
Lonsdaleite								doi: 10.1103/PhysRevB.70.045101
Lonsdaleite								doi: 10.1063/1.3479478
Lonsdaleite								doi: 10.1063/1.3452220
Lonsdaleite		3.623			437.1		152.0	doi: 10.1016/j.scriptamat.2011.04.013
3D-(3,0)		3.623			454.5	551.2	96.9	doi: 10.1021/nn202053t
LA2		3.51			454.5			doi: 10.1134/s1063776111060173
Lonsdaleite								doi: 10.1021/ja304380p
diamond								doi: 10.1103/PhysRevB.85.155428
L2								link
Lonsdaleite								doi: 10.1524/zkri.2013.1620
2H-diamond					455.3	551.6	97.3	doi: 10.1016/j.diamond.2014.04.005
hd								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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