xxx 
Array
(
    [0] => Array
        (
            [id] => 238
            [topology] => dia-a
            [link_rcsr] => 
            [in_col] => 1
            [transitivity] => [1222]
            [space_group] => Pn-3m
            [pearson] => cP8
            [cn] => 4
            [Year] => 2014
            [cn_sort] => 004-
            [topology_str] => dia-a
            [sp_atoms] => 
            [caid] => 35
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => .831
            [e_gap] => 
            [energy] => 2.121
            [bulk_mod] => 84.5
            [shear_mod] => 10.6
            [vicker_hard] => 1.8
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 239
            [topology] => dia-a
            [link_rcsr] => 
            [in_col] => 1
            [transitivity] => [1222]
            [space_group] => Pn-3m
            [pearson] => cP8
            [cn] => 4
            [Year] => 2014
            [cn_sort] => 004-
            [topology_str] => dia-a
            [sp_atoms] => 
            [caid] => 35
            [nn] => 1
            [name] => T-II carbon (2-fold)
            [pressure] => 
            [density] => 1.77
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 307
            [shear_mod] => 213
            [vicker_hard] => 
            [ref_file] => /References/2014_RSC_Adv_17364_dia_a_2fold
            [publ_year] => 2014
            [ref] => 
        )

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

SACADA Database Code: 35

Topology: dia-a

# of independent nodes (IN): 1
Transitivity: [1222]
Space Group: Pn-3m
Pearson: cP8
Coordination Number (CN): 4

Year: 2014

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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
dia-a (SACADA #35).8312.12184.510.61.8SACADA¹
T-II carbon (2-fold)1.77307213doi: 10.1039/C4RA01962H 
Elasticity tensor (kBar)¹

914.4675811.3279811.32790.00000.00000.0000
811.3279914.4675811.3279-0.0000-0.0000-0.0000
811.3279811.3279914.46750.0000-0.00000.0000
-0.0000-0.0000-0.0000170.27830.0000-0.0000
0.0000-0.0000-0.00000.0000170.2783-0.0000
0.0000-0.00000.0000-0.0000-0.0000170.2783

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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