SACADA 3D

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SACADA Database Code: 218

Topology: cnw

# of independent nodes (IN): 4
Transitivity: [4753]
Space Group: Pnma
Pearson: oP16
Coordination Number (CN): 4

Year: 2011

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Data

Name	Pressure, GPa	Density, g/cm³	Gap, eV	Relative energy, eV/atom	Bulk, GPa	Shear, GPa	Vickers, GPa	Refs
cnw (SACADA #218)		3.398		0.725	417.8	459.4	85.7	SACADA¹
W-carbon								doi: 10.1103/PhysRevLett.106.075501
W-carbon								doi: 10.1063/1.3610996
W-carbon			4.39		444.5			doi: 10.1021/ja304380p
W-carbon					403	451	78.5	doi: 10.1103/PhysRevB.85.144115
W-carbon			3.45-3.35		468-447			doi: 10.1103/PhysRevB.85.155428
W-carbon							83.1	doi: 10.1016/j.ssc.2012.05.022
W-carbon								doi: 10.1038/srep00471
W-carbon								link
W-carbon					431.4		93.8	doi: 10.3103/s1063457613010012
W-carbon					432			doi: 10.1016/j.carbon.2014.06.050
W-carbon								doi: 10.1088/0253-6102/64/2/237
W-carbon								doi: 10.1142/s0217984915300112
W-carbon								doi: 10.1103/PhysRevB.93.085201
W-carbon		3.352						doi: 10.1088/0953-8984/28/47/475402

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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Team References support@sacada.info Cite this: Angew. Chem. Int. Ed. 2016, 55, 10962–10976