xxx 
Array
(
    [0] => Array
        (
            [id] => 397
            [topology] => 4/5/t1
            [link_rcsr] => 
            [in_col] => 1
            [transitivity] => [1322]
            [space_group] => I41/a
            [pearson] => tI16
            [cn] => 4
            [Year] => 2015
            [cn_sort] => 004-
            [topology_str] => 4/5/t1
            [caid] => 66
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.575
            [e_gap] => 
            [energy] => 0.837
            [bulk_mod] => 375.8
            [shear_mod] => 486.1
            [vicker_hard] => 93.0
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 398
            [topology] => 4/5/t1
            [link_rcsr] => 
            [in_col] => 1
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            [cn] => 4
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            [cn_sort] => 004-
            [topology_str] => 4/5/t1
            [caid] => 66
            [nn] => 1
            [name] => I41/a
            [pressure] => 
            [density] => 
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 346
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2015PhysRevB91_214104
            [publ_year] => 2015
            [ref] => 
        )

    [2] => Array
        (
            [id] => 399
            [topology] => 4/5/t1
            [link_rcsr] => 
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            [pearson] => tI16
            [cn] => 4
            [Year] => 2015
            [cn_sort] => 004-
            [topology_str] => 4/5/t1
            [caid] => 66
            [nn] => 2
            [name] => BT8
            [pressure] => 
            [density] => 3.508
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 333
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2016_PhysRevB_94_174102
            [publ_year] => 2016
            [ref] => 
        )

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

SACADA Database Code: 66

Topology: 4/5/t1

# of independent nodes (IN): 1
Transitivity: [1322]
Space Group: I41/a
Pearson: tI16
Coordination Number (CN): 4

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
4/5/t1 (SACADA #66)3.5750.837375.8486.193.0SACADA¹
I41/a346doi: 10.1103/PhysRevB.91.214104 
BT83.508333doi: 10.1103/PhysRevB.94.174102 
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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