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Array
(
    [0] => Array
        (
            [id] => 1451
            [topology] => 4<sup>5</sup>T56
            [link_rcsr] => 
            [in_col] => 5
            [transitivity] => [5(12)(10)5]
            [space_group] => P-1
            [pearson] => aP10
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>5</sup>T56
            [sp_atoms] => 
            [caid] => 414
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.487
            [e_gap] => 
            [energy] => 0.838
            [bulk_mod] => 416.0
            [shear_mod] => 473.3
            [vicker_hard] => 89.0
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1452
            [topology] => 4<sup>5</sup>T56
            [link_rcsr] => 
            [in_col] => 5
            [transitivity] => [5(12)(10)5]
            [space_group] => P-1
            [pearson] => aP10
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>5</sup>T56
            [sp_atoms] => 
            [caid] => 414
            [nn] => 1
            [name] => G112
            [pressure] => 
            [density] => 
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2017_ChemPhysChem_18_873
            [publ_year] => 2017
            [ref] => 
        )

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

SACADA Database Code: 414

Topology: 45T56

# of independent nodes (IN): 5
Transitivity: [5(12)(10)5]
Space Group: P-1
Pearson: aP10
Coordination Number (CN): 4

Year: 2017

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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
45T56 (SACADA #414)3.4870.838416.0473.389.0SACADA¹
G112doi: 10.1002/cphc.201700151 
Elasticity tensor (kBar)¹

11976.2362404.1043772.6135102.6435156.1183-215.9824
404.104310124.10151206.9417350.6411-844.306026.9220
772.61351206.941710636.96126.6903503.8765-517.1861
102.6435350.64116.69034203.0180-362.2158203.7561
156.1183-844.3060503.8765-362.21584474.6609301.5630
-215.982426.9220-517.1861203.7561301.56305119.9843

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 – 2025 SCTMS  Team References support@sacada.info Cite this: Angew. Chem. Int. Ed. 2016, 55, 10962–10976 
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