xxx 
Array
(
    [0] => Array
        (
            [id] => 1352
            [topology] => 4<sup>5</sup>T49
            [link_rcsr] => 
            [in_col] => 5
            [transitivity] => [5884]
            [space_group] => P21/m
            [pearson] => mP10
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>5</sup>T49
            [sp_atoms] => 
            [caid] => 365
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.380
            [e_gap] => 
            [energy] => 0.693
            [bulk_mod] => 403.3
            [shear_mod] => 444.8
            [vicker_hard] => 83.0
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1353
            [topology] => 4<sup>5</sup>T49
            [link_rcsr] => 
            [in_col] => 5
            [transitivity] => [5884]
            [space_group] => P21/m
            [pearson] => mP10
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>5</sup>T49
            [sp_atoms] => 
            [caid] => 365
            [nn] => 1
            [name] => G21
            [pressure] => 
            [density] => 
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2017_ChemPhysChem_18_873
            [publ_year] => 2017
            [ref] => 
        )

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

SACADA Database Code: 365

Topology: 45T49

# of independent nodes (IN): 5
Transitivity: [5884]
Space Group: P21/m
Pearson: mP10
Coordination Number (CN): 4

Year: 2017

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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
45T49 (SACADA #365)3.3800.693403.3444.883.0SACADA¹
G21doi: 10.1002/cphc.201700151 
Elasticity tensor (kBar)¹

9629.5107869.85531199.6780-0.0000-0.000065.7330
869.855310805.0772515.6133-0.00000.0000-211.5108
1199.6780515.613310706.0250-0.00000.0000-139.6808
-0.0000-0.0000-0.00004654.6745-490.97160.0000
-0.00000.00000.0000-490.97164482.53420.0000
65.7330-211.5108-139.68080.00000.00003707.2326

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 
xxx