xxx 
Array
(
    [0] => Array
        (
            [id] => 560
            [topology] => fsd-3,4-I4/mcm
            [link_rcsr] => 
            [in_col] => 2
            [transitivity] => [2332]
            [space_group] => I4/mcm
            [pearson] => tl24
            [cn] => 3, 4 (1:2)
            [Year] => 2015
            [cn_sort] => 003-004-001-002-
            [topology_str] => fsd-3,4-I4/mcm
            [caid] => 109
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 2.606
            [e_gap] => 
            [energy] => 0.746
            [bulk_mod] => 299.0
            [shear_mod] => 216.7
            [vicker_hard] => 26.4
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 561
            [topology] => fsd-3,4-I4/mcm
            [link_rcsr] => 
            [in_col] => 2
            [transitivity] => [2332]
            [space_group] => I4/mcm
            [pearson] => tl24
            [cn] => 3, 4 (1:2)
            [Year] => 2015
            [cn_sort] => 003-004-001-002-
            [topology_str] => fsd-3,4-I4/mcm
            [caid] => 109
            [nn] => 1
            [name] => bct-C12
            [pressure] => 
            [density] => 
            [e_gap] => Metal
            [energy] => 
            [bulk_mod] => 315.9
            [shear_mod] => 225.4
            [vicker_hard] => 31.6
            [ref_file] => /References/2015_ScientificReports_5_10713
            [publ_year] => 2015
            [ref] => 
        )

)
General information SACADA Check your allotrope Cite this: Angew. Chem. Int. Ed. 2016, 55, 10962–10976 

SACADA Database Code: 109

Topology: fsd-3,4-I4/mcm

# of independent nodes (IN): 2
Transitivity: [2332]
Space Group: I4/mcm
Pearson: tl24
Coordination Number (CN): 3, 4 (1:2)

Year: 2015

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Style:  Wireframe   Capped sticks   Spacefill   Ball&Sticks
Labels:  No Labels   All Atoms
Translations:  {1x1x1}   {2x2x2}  {3x3x3}
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Data

Name

Pressure, GPa

Density, g/cm³

Gap, eV

Relative energy, eV/atom

Bulk, GPa

Shear, GPa

Vickers, GPa

Refs
fsd-3,4-I4/mcm (SACADA #109)2.6060.746299.0216.726.4SACADA¹
bct-C12Metal315.9225.431.6doi: 10.1038/srep10713 
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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© 2016 – 2024 SCTMS  Team References support@sacada.info Cite this: Angew. Chem. Int. Ed. 2016, 55, 10962–10976 
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