SACADA 3D

xxx

Array
(
    [0] => Array
        (
            [id] => 1471
            [topology] => 4<sup>8</sup>T33
            [link_rcsr] => 
            [in_col] => 8
            [transitivity] => [8(19)(12)3]
            [space_group] => P-1
            [pearson] => aP16
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>8</sup>T33
            [sp_atoms] => 
            [caid] => 424
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.411
            [e_gap] => 
            [energy] => 0.963
            [bulk_mod] => 384.8
            [shear_mod] => 440.5
            [vicker_hard] => 82.9
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1472
            [topology] => 4<sup>8</sup>T33
            [link_rcsr] => 
            [in_col] => 8
            [transitivity] => [8(19)(12)3]
            [space_group] => P-1
            [pearson] => aP16
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>8</sup>T33
            [sp_atoms] => 
            [caid] => 424
            [nn] => 1
            [name] => G124
            [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: 424

Topology: 4⁸T33

# of independent nodes (IN): 8
Transitivity: [8(19)(12)3]
Space Group: P-1
Pearson: aP16
Coordination Number (CN): 4

Year: 2017

Download CIF File

Download PDF report

Data

Name	Pressure, GPa	Density, g/cm³	Gap, eV	Relative energy, eV/atom	Bulk, GPa	Shear, GPa	Vickers, GPa	Refs
4⁸T33 (SACADA #424)		3.411		0.963	384.8	440.5	82.9	SACADA¹
G124								doi: 10.1002/cphc.201700151

Elasticity tensor (kBar)¹

9147.8381	1258.5202	1049.7790	-419.1390	-115.4534	-488.7982
1258.5202	9709.9718	602.7033	-584.6571	-183.3269	-4.1902
1049.7790	602.7033	9953.3618	173.0811	531.8542	-282.8831
-419.1390	-584.6571	173.0811	4516.3334	-191.9367	41.1391
-115.4534	-183.3269	531.8542	-191.9367	4164.3975	79.2383
-488.7982	-4.1902	-282.8831	41.1391	79.2383	4796.5585

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.

Click here for more details

© 2016 – 2025 SCTMS

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