SACADA 3D

xxx

Array
(
    [0] => Array
        (
            [id] => 853
            [topology] => 3<sup>2</sup>,4T202
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => -
            [space_group] => Pn-3m
            [pearson] => cP56
            [cn] => 3, 4 (6:1)
            [Year] => 2009
            [cn_sort] => 003-004-006-001-
            [topology_str] => 3<sup>2</sup>,4T202
            [sp_atoms] => 
            [caid] => 197
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 2.123
            [e_gap] => 
            [energy] => 1.267
            [bulk_mod] => 91.2
            [shear_mod] => 60.5
            [vicker_hard] => 6.9
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 854
            [topology] => 3<sup>2</sup>,4T202
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => -
            [space_group] => Pn-3m
            [pearson] => cP56
            [cn] => 3, 4 (6:1)
            [Year] => 2009
            [cn_sort] => 003-004-006-001-
            [topology_str] => 3<sup>2</sup>,4T202
            [sp_atoms] => 
            [caid] => 197
            [nn] => 1
            [name] => AHD C28 (2-fold)
            [pressure] => 
            [density] => 2.18
            [e_gap] => 1.31
            [energy] => 
            [bulk_mod] => 122.8
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2009_ChemPhysLett_473_108
            [publ_year] => 2009
            [ref] => 
        )

    [2] => Array
        (
            [id] => 855
            [topology] => 3<sup>2</sup>,4T202
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => -
            [space_group] => Pn-3m
            [pearson] => cP56
            [cn] => 3, 4 (6:1)
            [Year] => 2009
            [cn_sort] => 003-004-006-001-
            [topology_str] => 3<sup>2</sup>,4T202
            [sp_atoms] => 
            [caid] => 197
            [nn] => 2
            [name] => 
            [pressure] => 
            [density] => 2.18
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 122.8
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2010_JSuperhardMat_32_67
            [publ_year] => 2010
            [ref] => 
        )

)

SACADA Database Code: 197

Topology: 3²,4T202

# of independent nodes (IN): 3
Transitivity: -
Space Group: Pn-3m
Pearson: cP56
Coordination Number (CN): 3, 4 (6:1)

Year: 2009

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
3²,4T202 (SACADA #197)		2.123		1.267	91.2	60.5	6.9	SACADA¹
AHD C28 (2-fold)		2.18	1.31		122.8			doi: 10.1016/j.cplett.2009.03.033
		2.18			122.8			doi: 10.3103/s1063457610020012

Elasticity tensor (kBar)¹

1433.4388	652.1615	652.1615	0.0000	-0.0000	0.0000
652.1615	1433.4388	652.1615	-0.0000	0.0000	-0.0000
652.1615	652.1615	1433.4388	-0.0000	0.0000	-0.0000
-0.0000	-0.0000	-0.0000	810.7447	0.0000	0.0000
-0.0000	0.0000	-0.0000	0.0000	810.7447	0.0000
0.0000	-0.0000	-0.0000	0.0000	0.0000	810.7447

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