xxx 
Array
(
    [0] => Array
        (
            [id] => 1312
            [topology] => 4<sup>20</sup>T1
            [link_rcsr] => 
            [in_col] => 20
            [transitivity] => [(20)(30)(27)(17)]
            [space_group] => Cm
            [pearson] => mS40
            [cn] => 4
            [Year] => 2013
            [cn_sort] => 004-
            [topology_str] => 4<sup>20</sup>T1
            [sp_atoms] => 
            [caid] => 346
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.404
            [e_gap] => 
            [energy] => 0.757
            [bulk_mod] => 390.3
            [shear_mod] => 439.8
            [vicker_hard] => 82.5
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1313
            [topology] => 4<sup>20</sup>T1
            [link_rcsr] => 
            [in_col] => 20
            [transitivity] => [(20)(30)(27)(17)]
            [space_group] => Cm
            [pearson] => mS40
            [cn] => 4
            [Year] => 2013
            [cn_sort] => 004-
            [topology_str] => 4<sup>20</sup>T1
            [sp_atoms] => 
            [caid] => 346
            [nn] => 1
            [name] => Cm-40
            [pressure] => 23.2
            [density] => 3.353
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2013_JChemPhys_138_114101
            [publ_year] => 2013
            [ref] => 
        )

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

SACADA Database Code: 346

Topology: 420T1

# of independent nodes (IN): 20
Transitivity: [(20)(30)(27)(17)]
Space Group: Cm
Pearson: mS40
Coordination Number (CN): 4

Year: 2013

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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
420T1 (SACADA #346)3.4040.757390.3439.882.5SACADA¹
Cm-4023.23.353doi: 10.1063/1.4794424 
Elasticity tensor (kBar)¹

8980.7458868.81691268.9016-0.00000.0000-367.8247
868.816910958.6099594.1120-0.0000-0.0000-300.1997
1268.9016594.11209767.25090.0000-0.0000121.8374
-0.0000-0.00000.00004723.0039-456.6966-0.0000
0.0000-0.0000-0.0000-456.69664264.3824-0.0000
-367.8247-300.1997121.8374-0.0000-0.00004090.5472

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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