SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 1487
            [topology] => 4<sup>8</sup>T37
            [link_rcsr] => 
            [in_col] => 8
            [transitivity] => [8(18)(11)3]
            [space_group] => P-1
            [pearson] => aP16
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>8</sup>T37
            [sp_atoms] => 
            [caid] => 432
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.276
            [e_gap] => 
            [energy] => 0.938
            [bulk_mod] => 375.2
            [shear_mod] => 384.2
            [vicker_hard] => 69.8
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1488
            [topology] => 4<sup>8</sup>T37
            [link_rcsr] => 
            [in_col] => 8
            [transitivity] => [8(18)(11)3]
            [space_group] => P-1
            [pearson] => aP16
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>8</sup>T37
            [sp_atoms] => 
            [caid] => 432
            [nn] => 1
            [name] => G132
            [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: 432

Topology: 4⁸T37

# of independent nodes (IN): 8
Transitivity: [8(18)(11)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
4⁸T37 (SACADA #432)		3.276		0.938	375.2	384.2	69.8	SACADA¹
G132								doi: 10.1002/cphc.201700151

Elasticity tensor (kBar)¹

9595.8659	1374.3779	800.5212	48.6002	-148.1567	540.7812
1374.3779	8592.4950	1022.0806	-91.3449	19.7861	-290.7739
800.5212	1022.0806	9210.9166	-5.4593	141.7540	587.4403
48.6002	-91.3449	-5.4593	3944.2181	309.7707	-79.7958
-148.1567	19.7861	141.7540	309.7707	3902.3764	19.1444
540.7812	-290.7739	587.4403	-79.7958	19.1444	3366.5936

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