SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 1385
            [topology] => 4<sup>7</sup>T23
            [link_rcsr] => 
            [in_col] => 7
            [transitivity] => [7(16)(12)5]
            [space_group] => P-1
            [pearson] => aP14
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>7</sup>T23
            [sp_atoms] => 
            [caid] => 381
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.385
            [e_gap] => 
            [energy] => 0.919
            [bulk_mod] => 387.5
            [shear_mod] => 429.0
            [vicker_hard] => 80.2
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1386
            [topology] => 4<sup>7</sup>T23
            [link_rcsr] => 
            [in_col] => 7
            [transitivity] => [7(16)(12)5]
            [space_group] => P-1
            [pearson] => aP14
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>7</sup>T23
            [sp_atoms] => 
            [caid] => 381
            [nn] => 1
            [name] => G61
            [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: 381

Topology: 4⁷T23

# of independent nodes (IN): 7
Transitivity: [7(16)(12)5]
Space Group: P-1
Pearson: aP14
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
4⁷T23 (SACADA #381)		3.385		0.919	387.5	429.0	80.2	SACADA¹
G61								doi: 10.1002/cphc.201700151

Elasticity tensor (kBar)¹

9271.5428	1026.8347	1500.8088	108.2427	-93.6719	-178.4653
1026.8347	10490.7617	705.7770	325.4987	174.2722	62.4460
1500.8088	705.7770	8694.5041	-51.7639	76.2552	-18.5038
108.2427	325.4987	-51.7639	4452.8379	6.4331	105.3304
-93.6719	174.2722	76.2552	6.4331	4007.2446	55.4528
-178.4653	62.4460	-18.5038	105.3304	55.4528	4682.7232

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