SACADA 3D

xxx

Array
(
    [0] => Array
        (
            [id] => 1475
            [topology] => 4<sup>8</sup>T34
            [link_rcsr] => 
            [in_col] => 8
            [transitivity] => [8(17)(13)3]
            [space_group] => P-1
            [pearson] => aP16
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>8</sup>T34
            [sp_atoms] => 
            [caid] => 426
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.456
            [e_gap] => 
            [energy] => 0.987
            [bulk_mod] => 390.0
            [shear_mod] => 445.2
            [vicker_hard] => 83.8
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1476
            [topology] => 4<sup>8</sup>T34
            [link_rcsr] => 
            [in_col] => 8
            [transitivity] => [8(17)(13)3]
            [space_group] => P-1
            [pearson] => aP16
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>8</sup>T34
            [sp_atoms] => 
            [caid] => 426
            [nn] => 1
            [name] => G126
            [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: 426

Topology: 4⁸T34

# of independent nodes (IN): 8
Transitivity: [8(17)(13)3]
Space Group: P-1
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
4⁸T34 (SACADA #426)		3.456		0.987	390.0	445.2	83.8	SACADA¹
G126								doi: 10.1002/cphc.201700151

Elasticity tensor (kBar)¹

10572.1749	967.5625	793.0656	522.3740	-284.2647	323.7669
967.5625	10245.2232	584.1970	171.0409	-66.2137	159.9828
793.0656	584.1970	9636.9040	-313.7597	416.1110	87.0493
522.3740	171.0409	-313.7597	4617.6022	271.3805	-84.8130
-284.2647	-66.2137	416.1110	271.3805	4089.4036	-196.4292
323.7669	159.9828	87.0493	-84.8130	-196.4292	4259.0459

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