SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 1253
            [topology] => 4<sup>11</sup>T9
            [link_rcsr] => 
            [in_col] => 11
            [transitivity] => [(11)(24)(20)8]
            [space_group] => P-1
            [pearson] => aP22
            [cn] => 4
            [Year] => 2013
            [cn_sort] => 004-
            [topology_str] => 4<sup>11</sup>T9
            [caid] => 323
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.507
            [e_gap] => 
            [energy] => 0.000
            [bulk_mod] => 421.5
            [shear_mod] => 489.7
            [vicker_hard] => 92.5
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1254
            [topology] => 4<sup>11</sup>T9
            [link_rcsr] => 
            [in_col] => 11
            [transitivity] => [(11)(24)(20)8]
            [space_group] => P-1
            [pearson] => aP22
            [cn] => 4
            [Year] => 2013
            [cn_sort] => 004-
            [topology_str] => 4<sup>11</sup>T9
            [caid] => 323
            [nn] => 1
            [name] => 22C
            [pressure] => 20
            [density] => 
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2013_PhysRev_B_88_014102
            [publ_year] => 2013
            [ref] => 
        )

)

SACADA Database Code: 323

Topology: 4¹¹T9

# of independent nodes (IN): 11
Transitivity: [(11)(24)(20)8]
Space Group: P-1
Pearson: aP22
Coordination Number (CN): 4

Year: 2013

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Data

Name	Pressure, GPa	Density, g/cm³	Gap, eV	Relative energy, eV/atom	Bulk, GPa	Shear, GPa	Vickers, GPa	Refs
4¹¹T9 (SACADA #323)		3.507		0.000	421.5	489.7	92.5	SACADA¹
22C	20							doi: 10.1103/PhysRevB.88.014102

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