xxx 
Array
(
    [0] => Array
        (
            [id] => 1563
            [topology] => 4<sup>8</sup>T44
            [link_rcsr] => 
            [in_col] => 8
            [transitivity] => [8(16)(16)8]
            [space_group] => P21
            [pearson] => mP16
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>8</sup>T44
            [sp_atoms] => 
            [caid] => 470
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.531
            [e_gap] => 
            [energy] => 0.750
            [bulk_mod] => 421.3
            [shear_mod] => 495.0
            [vicker_hard] => 93.6
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1564
            [topology] => 4<sup>8</sup>T44
            [link_rcsr] => 
            [in_col] => 8
            [transitivity] => [8(16)(16)8]
            [space_group] => P21
            [pearson] => mP16
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>8</sup>T44
            [sp_atoms] => 
            [caid] => 470
            [nn] => 1
            [name] => G178
            [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: 470

Topology: 48T44

# of independent nodes (IN): 8
Transitivity: [8(16)(16)8]
Space Group: P21
Pearson: mP16
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
48T44 (SACADA #470)3.5310.750421.3495.093.6SACADA¹
G178doi: 10.1002/cphc.201700151 
Elasticity tensor (kBar)¹

10979.9639819.7204634.3955-0.00000.0000-343.9098
819.720411803.6532564.0248-0.0000-0.0000261.9239
634.3955564.024811118.15890.00000.0000118.1255
-0.0000-0.00000.00005129.4854362.3714-0.0000
-0.0000-0.00000.0000362.37144761.1440-0.0000
-343.9098261.9239118.12550.0000-0.00004313.2857

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 
xxx