SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 1481
            [topology] => 4<sup>16</sup>T11
            [link_rcsr] => 
            [in_col] => 16
            [transitivity] => [(16)(32)(25)9]
            [space_group] => P1
            [pearson] => aP16
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>16</sup>T11
            [sp_atoms] => 
            [caid] => 429
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.399
            [e_gap] => 
            [energy] => 0.956
            [bulk_mod] => 390.6
            [shear_mod] => 429.2
            [vicker_hard] => 80.0
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1482
            [topology] => 4<sup>16</sup>T11
            [link_rcsr] => 
            [in_col] => 16
            [transitivity] => [(16)(32)(25)9]
            [space_group] => P1
            [pearson] => aP16
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>16</sup>T11
            [sp_atoms] => 
            [caid] => 429
            [nn] => 1
            [name] => G129
            [pressure] => 
            [density] => 
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2017_ChemPhysChem_18_873
            [publ_year] => 2017
            [ref] => 
        )

)

SACADA Database Code: 429

Topology: 4¹⁶T11

# of independent nodes (IN): 16
Transitivity: [(16)(32)(25)9]
Space Group: P1
Pearson: aP16
Coordination Number (CN): 4

Year: 2017

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Data

Name	Pressure, GPa	Density, g/cm³	Gap, eV	Relative energy, eV/atom	Bulk, GPa	Shear, GPa	Vickers, GPa	Refs
4¹⁶T11 (SACADA #429)		3.399		0.956	390.6	429.2	80.0	SACADA¹
G129								doi: 10.1002/cphc.201700151

Elasticity tensor (kBar)¹

9896.1645	1086.7397	1008.8042	-130.5249	-193.6564	7.1562
1086.7397	9549.8944	1067.4125	714.9478	57.2058	22.6224
1008.8042	1067.4125	9420.6068	-183.9736	-338.0673	358.7045
-130.5249	714.9478	-183.9736	4288.5484	100.3716	-68.4858
-193.6564	57.2058	-338.0673	100.3716	4121.6451	-18.7034
7.1562	22.6224	358.7045	-68.4858	-18.7034	4504.7017

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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Team References support@sacada.info Cite this: Angew. Chem. Int. Ed. 2016, 55, 10962–10976