SACADA 3D

xxx

Array
(
    [0] => Array
        (
            [id] => 1150
            [topology] => 4<sup>7</sup>T4
            [link_rcsr] => 
            [in_col] => 7
            [transitivity] => [7(12)(10)3]
            [space_group] => Immm
            [pearson] => oI56
            [cn] => 4
            [Year] => 2010
            [cn_sort] => 004-
            [topology_str] => 4<sup>7</sup>T4
            [sp_atoms] => 
            [caid] => 279
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 2.973
            [e_gap] => 
            [energy] => 0.829
            [bulk_mod] => 354.8
            [shear_mod] => 368.9
            [vicker_hard] => 67.5
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1151
            [topology] => 4<sup>7</sup>T4
            [link_rcsr] => 
            [in_col] => 7
            [transitivity] => [7(12)(10)3]
            [space_group] => Immm
            [pearson] => oI56
            [cn] => 4
            [Year] => 2010
            [cn_sort] => 004-
            [topology_str] => 4<sup>7</sup>T4
            [sp_atoms] => 
            [caid] => 279
            [nn] => 1
            [name] => bco-C28
            [pressure] => 
            [density] => 
            [e_gap] => 3.3
            [energy] => 
            [bulk_mod] => 341
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2010-2011_Anno Accademico_Giorgio_BENEDEK
            [publ_year] => 2010
            [ref] => 
        )

    [2] => Array
        (
            [id] => 1152
            [topology] => 4<sup>7</sup>T4
            [link_rcsr] => 
            [in_col] => 7
            [transitivity] => [7(12)(10)3]
            [space_group] => Immm
            [pearson] => oI56
            [cn] => 4
            [Year] => 2010
            [cn_sort] => 004-
            [topology_str] => 4<sup>7</sup>T4
            [sp_atoms] => 
            [caid] => 279
            [nn] => 2
            [name] => bco-C28
            [pressure] => 
            [density] => 
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2013_Diamond_RelatedNanostructures_6_75_89
            [publ_year] => 2013
            [ref] => 
        )

)

SACADA Database Code: 279

Topology: 4⁷T4

# of independent nodes (IN): 7
Transitivity: [7(12)(10)3]
Space Group: Immm
Pearson: oI56
Coordination Number (CN): 4

Year: 2010

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
4⁷T4 (SACADA #279)		2.973		0.829	354.8	368.9	67.5	SACADA¹
bco-C28			3.3		341			link
bco-C28								doi: 10.1007/978-94-007-6371-5_4

Elasticity tensor (kBar)¹

9717.8684	714.8634	788.8970	-0.0000	-0.0000	0.0000
714.8634	8628.2609	1116.3685	0.0000	0.0000	0.0000
788.8970	1116.3685	8369.9108	-0.0000	0.0000	0.0000
0.0000	0.0000	0.0000	3652.1452	-0.0000	-0.0000
-0.0000	0.0000	0.0000	-0.0000	3135.3150	0.0000
-0.0000	-0.0000	0.0000	-0.0000	0.0000	3724.2594

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