SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 601
            [topology] => bik
            [link_rcsr] => http://rcsr.net/nets/bik
            [in_col] => 2
            [transitivity] => [2432]
            [space_group] => Cmcm
            [pearson] => oS12
            [cn] => 4
            [Year] => 1993
            [cn_sort] => 004-
            [topology_str] => bik
            [sp_atoms] => 
            [caid] => 124
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.278
            [e_gap] => 
            [energy] => 0.797
            [bulk_mod] => 397.9
            [shear_mod] => 444.5
            [vicker_hard] => 83.2
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 602
            [topology] => bik
            [link_rcsr] => http://rcsr.net/nets/bik
            [in_col] => 2
            [transitivity] => [2432]
            [space_group] => Cmcm
            [pearson] => oS12
            [cn] => 4
            [Year] => 1993
            [cn_sort] => 004-
            [topology_str] => bik
            [sp_atoms] => 
            [caid] => 124
            [nn] => 1
            [name] => C-BIK
            [pressure] => 
            [density] => 
            [e_gap] => 3.14
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/1993_Angew_Nesper_foam_C
            [publ_year] => 1993
            [ref] => 
        )

)

SACADA Database Code: 124

Topology: bik

# of independent nodes (IN): 2
Transitivity: [2432]
Space Group: Cmcm
Pearson: oS12
Coordination Number (CN): 4

Year: 1993

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Data

Name	Pressure, GPa	Density, g/cm³	Gap, eV	Relative energy, eV/atom	Bulk, GPa	Shear, GPa	Vickers, GPa	Refs
bik (SACADA #124)		3.278		0.797	397.9	444.5	83.2	SACADA¹
C-BIK			3.14					doi: 10.1002/anie.199307011

Elasticity tensor (kBar)¹

12263.0549	769.8951	57.1004	0.0000	-0.0000	-0.0000
769.8951	8919.1161	1082.2700	0.0000	-0.0000	-0.0000
57.1004	1082.2700	10957.0091	0.0000	0.0000	-0.0000
0.0000	0.0000	0.0000	3428.8600	-0.0000	-0.0000
-0.0000	-0.0000	0.0000	-0.0000	4872.0354	0.0000
-0.0000	-0.0000	-0.0000	-0.0000	-0.0000	4206.5557

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