xxx 
Array
(
    [0] => Array
        (
            [id] => 879
            [topology] => SiC12
            [link_rcsr] => 
            [in_col] => 4
            [transitivity] => [4554]
            [space_group] => R-3m
            [pearson] => hR24
            [cn] => 4
            [Year] => 2011
            [cn_sort] => 004-
            [topology_str] => SiC12
            [sp_atoms] => 
            [caid] => 209
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.546
            [e_gap] => 
            [energy] => 0.575
            [bulk_mod] => 449.9
            [shear_mod] => 530.5
            [vicker_hard] => 100.4
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 880
            [topology] => SiC12
            [link_rcsr] => 
            [in_col] => 4
            [transitivity] => [4554]
            [space_group] => R-3m
            [pearson] => hR24
            [cn] => 4
            [Year] => 2011
            [cn_sort] => 004-
            [topology_str] => SiC12
            [sp_atoms] => 
            [caid] => 209
            [nn] => 1
            [name] => 12R
            [pressure] => 15
            [density] => 3.53
            [e_gap] => 4.50
            [energy] => 
            [bulk_mod] => 474.6
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2011_PhysRevB_84_012102
            [publ_year] => 2011
            [ref] => 
        )

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

SACADA Database Code: 209

Topology: SiC12

# of independent nodes (IN): 4
Transitivity: [4554]
Space Group: R-3m
Pearson: hR24
Coordination Number (CN): 4

Year: 2011

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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
SiC12 (SACADA #209)3.5460.575449.9530.5100.4SACADA¹
12R153.534.50474.6doi: 10.1103/PhysRevB.84.012102 
Elasticity tensor (kBar)¹

11983.74231065.0289400.0638-1.6092-262.79701.5756
1065.028911979.7050401.94540.4313262.48290.1784
400.0638401.945412792.6447-1.52020.19481.0472
-1.60920.4313-1.52025451.9761-1.0336-262.9026
-262.7970262.48290.1948-1.03364795.0346-0.6545
1.57560.17841.0472-262.9026-0.65454796.0489

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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