SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 829
            [topology] => csp
            [link_rcsr] => http://rcsr.net/nets/csp
            [in_col] => 3
            [transitivity] => [3774]
            [space_group] => Pm-3n
            [pearson] => cP120
            [cn] => 4
            [Year] => 1991
            [cn_sort] => 004-
            [topology_str] => csp
            [sp_atoms] => 
            [caid] => 187
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 2.657
            [e_gap] => 
            [energy] => 1.235
            [bulk_mod] => 294.5
            [shear_mod] => 273.5
            [vicker_hard] => 46.6
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 830
            [topology] => csp
            [link_rcsr] => http://rcsr.net/nets/csp
            [in_col] => 3
            [transitivity] => [3774]
            [space_group] => Pm-3n
            [pearson] => cP120
            [cn] => 4
            [Year] => 1991
            [cn_sort] => 004-
            [topology_str] => csp
            [sp_atoms] => 
            [caid] => 187
            [nn] => 1
            [name] => csp
            [pressure] => 
            [density] => 
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/1991Nature352_674
            [publ_year] => 1991
            [ref] => 
        )

)

SACADA Database Code: 187

Topology: csp

# of independent nodes (IN): 3
Transitivity: [3774]
Space Group: Pm-3n
Pearson: cP120
Coordination Number (CN): 4

Year: 1991

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Data

Name	Pressure, GPa	Density, g/cm³	Gap, eV	Relative energy, eV/atom	Bulk, GPa	Shear, GPa	Vickers, GPa	Refs
csp (SACADA #187)		2.657		1.235	294.5	273.5	46.6	SACADA¹
csp								doi: 10.1038/352674a0

Elasticity tensor (kBar)¹

6888.9667	972.5160	972.5160	-0.0000	0.0000	0.0000
972.5160	6888.9667	972.5160	-0.0000	-0.0000	-0.0000
972.5160	972.5160	6888.9667	0.0000	0.0000	-0.0000
0.0000	-0.0000	0.0000	2597.2592	-0.0000	-0.0000
0.0000	-0.0000	-0.0000	-0.0000	2597.2592	-0.0000
0.0000	0.0000	-0.0000	0.0000	-0.0000	2597.2592

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