SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 603
            [topology] => sqc1427
            [link_rcsr] => 
            [in_col] => 2
            [transitivity] => [2442]
            [space_group] => Cmmm
            [pearson] => oS16
            [cn] => 3, 4
            [Year] => 1999
            [cn_sort] => 003-004-
            [topology_str] => sqc1427
            [sp_atoms] => 
            [caid] => 125
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 1.971
            [e_gap] => 
            [energy] => 0.551
            [bulk_mod] => -
            [shear_mod] => -
            [vicker_hard] => -
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 604
            [topology] => sqc1427
            [link_rcsr] => 
            [in_col] => 2
            [transitivity] => [2442]
            [space_group] => Cmmm
            [pearson] => oS16
            [cn] => 3, 4
            [Year] => 1999
            [cn_sort] => 003-004-
            [topology_str] => sqc1427
            [sp_atoms] => 
            [caid] => 125
            [nn] => 1
            [name] => diam_cr43_ch
            [pressure] => 
            [density] => 2.839
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/1999_JSolStateChem_148_278
            [publ_year] => 1999
            [ref] => 
        )

)

SACADA Database Code: 125

Topology: sqc1427

# of independent nodes (IN): 2
Transitivity: [2442]
Space Group: Cmmm
Pearson: oS16
Coordination Number (CN): 3, 4

Year: 1999

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Data

Name	Pressure, GPa	Density, g/cm³	Gap, eV	Relative energy, eV/atom	Bulk, GPa	Shear, GPa	Vickers, GPa	Refs
sqc1427 (SACADA #125)		1.971		0.551	-	-	-	SACADA¹
diam_cr43_ch		2.839						doi: 10.1006/jssc.1999.8448

Elasticity tensor (kBar)¹

9222.3377	-36.5395	1720.0503	0.0000	0.0000	0.0000
-36.5395	54.5747	-13.2188	-0.0000	-0.0000	-0.0000
1720.0503	-13.2188	9185.4902	-0.0000	0.0000	0.0000
0.0000	-0.0000	-0.0000	-17.1601	0.0000	-0.0000
0.0000	-0.0000	-0.0000	0.0000	-15.9781	-0.0000
-0.0000	0.0000	0.0000	0.0000	-0.0000	3750.1816

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