xxx 
Array
(
    [0] => Array
        (
            [id] => 549
            [topology] => tna
            [link_rcsr] => http://rcsr.net/nets/tna
            [in_col] => 2
            [transitivity] => [2332]
            [space_group] => R32
            [pearson] => hR18
            [cn] => 3
            [Year] => 2001
            [cn_sort] => 003-
            [topology_str] => tna
            [sp_atoms] => 
            [caid] => 106
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 1.729
            [e_gap] => 
            [energy] => 1.800
            [bulk_mod] => -
            [shear_mod] => -
            [vicker_hard] => -
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 550
            [topology] => tna
            [link_rcsr] => http://rcsr.net/nets/tna
            [in_col] => 2
            [transitivity] => [2332]
            [space_group] => R32
            [pearson] => hR18
            [cn] => 3
            [Year] => 2001
            [cn_sort] => 003-
            [topology_str] => tna
            [sp_atoms] => 
            [caid] => 106
            [nn] => 1
            [name] => 6(3)2-27a
            [pressure] => 
            [density] => 1.77
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2001_ChemPhysLet_337_36
            [publ_year] => 2001
            [ref] => 
        )

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

SACADA Database Code: 106

Topology: tna

# of independent nodes (IN): 2
Transitivity: [2332]
Space Group: R32
Pearson: hR18
Coordination Number (CN): 3

Year: 2001

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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
tna (SACADA #106)1.7291.800---SACADA¹
6(3)2-27a1.77doi: 10.1016/S0009-2614(01)00126-9 
Elasticity tensor (kBar)¹

1192.10663266.48831091.90518.2403-64.3665-3.0605
3266.48831212.11281080.48625.534549.0606-1.7452
1091.90511080.48623127.408012.1471-5.3937-0.5940
8.24035.534512.1471-1029.5995-11.6837-43.1467
-64.366549.0606-5.3937-11.6837-76.5615-0.4450
-3.0605-1.7452-0.5940-43.1467-0.4450-73.2767

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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