xxx 
Array
(
    [0] => Array
        (
            [id] => 1163
            [topology] => 3<sup>6</sup>,4T4
            [link_rcsr] => 
            [in_col] => 7
            [transitivity] => [7(16)(10)2]
            [space_group] => P21/m
            [pearson] => mP28
            [cn] => 3, 4 (6:1)
            [Year] => 2013
            [cn_sort] => 003-004-006-001-
            [topology_str] => 3<sup>6</sup>,4T4
            [sp_atoms] => 
            [caid] => 285
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 1.383
            [e_gap] => 
            [energy] => 0.718
            [bulk_mod] => 154.8
            [shear_mod] => 79.8
            [vicker_hard] => 10.2
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1164
            [topology] => 3<sup>6</sup>,4T4
            [link_rcsr] => 
            [in_col] => 7
            [transitivity] => [7(16)(10)2]
            [space_group] => P21/m
            [pearson] => mP28
            [cn] => 3, 4 (6:1)
            [Year] => 2013
            [cn_sort] => 003-004-006-001-
            [topology_str] => 3<sup>6</sup>,4T4
            [sp_atoms] => 
            [caid] => 285
            [nn] => 1
            [name] => AGM-28
            [pressure] => 
            [density] => 1.36
            [e_gap] => 2.78
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2013_AdvFunctMater
            [publ_year] => 2013
            [ref] => 
        )

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

SACADA Database Code: 285

Topology: 36,4T4

# of independent nodes (IN): 7
Transitivity: [7(16)(10)2]
Space Group: P21/m
Pearson: mP28
Coordination Number (CN): 3, 4 (6:1)

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
36,4T4 (SACADA #285)1.3830.718154.879.810.2SACADA¹
AGM-281.362.78doi: 10.1002/adfm.201301077 
Elasticity tensor (kBar)¹

2089.2572672.43671060.9639-0.00000.0000420.3607
672.43675625.9157575.91250.0000-0.0000183.3019
1060.9639575.91252341.98490.00000.0000599.3893
-0.00000.00000.00001275.4136473.1922-0.0000
0.0000-0.00000.0000473.19221325.3434-0.0000
420.3607183.3019599.3893-0.0000-0.0000176.2225

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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