SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 823
            [topology] => csi
            [link_rcsr] => http://rcsr.net/nets/csi
            [in_col] => 3
            [transitivity] => [3763]
            [space_group] => Im-3
            [pearson] => cI120
            [cn] => 4
            [Year] => 1991
            [cn_sort] => 004-
            [topology_str] => csi
            [sp_atoms] => 
            [caid] => 185
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 2.655
            [e_gap] => 
            [energy] => 1.129
            [bulk_mod] => 301.3
            [shear_mod] => 282.9
            [vicker_hard] => 48.6
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 824
            [topology] => csi
            [link_rcsr] => http://rcsr.net/nets/csi
            [in_col] => 3
            [transitivity] => [3763]
            [space_group] => Im-3
            [pearson] => cI120
            [cn] => 4
            [Year] => 1991
            [cn_sort] => 004-
            [topology_str] => csi
            [sp_atoms] => 
            [caid] => 185
            [nn] => 1
            [name] => csi
            [pressure] => 
            [density] => 
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/1991Nature352_674
            [publ_year] => 1991
            [ref] => 
        )

)

SACADA Database Code: 185

Topology: csi

# of independent nodes (IN): 3
Transitivity: [3763]
Space Group: Im-3
Pearson: cI120
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
csi (SACADA #185)		2.655		1.129	301.3	282.9	48.6	SACADA¹
csi								doi: 10.1038/352674a0

Elasticity tensor (kBar)¹

7032.7757	1002.5820	1002.5820	-0.0000	-0.0000	0.0000
1002.5820	7032.7757	1002.5820	-0.0000	-0.0000	-0.0000
1002.5820	1002.5820	7032.7757	-0.0000	0.0000	0.0000
0.0000	-0.0000	-0.0000	2711.3490	-0.0000	-0.0000
0.0000	-0.0000	-0.0000	0.0000	2711.3490	0.0000
0.0000	-0.0000	0.0000	-0.0000	0.0000	2711.3490

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