SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 1322
            [topology] => 4<sup>24</sup>T1
            [link_rcsr] => 
            [in_col] => 24
            [transitivity] => [(24)(36)(34)(22)]
            [space_group] => Pm
            [pearson] => mP24
            [cn] => 4
            [Year] => 2013
            [cn_sort] => 004-
            [topology_str] => 4<sup>24</sup>T1
            [sp_atoms] => 
            [caid] => 351
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.491
            [e_gap] => 
            [energy] => 0.657
            [bulk_mod] => 418.0
            [shear_mod] => 487.0
            [vicker_hard] => 92.0
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1323
            [topology] => 4<sup>24</sup>T1
            [link_rcsr] => 
            [in_col] => 24
            [transitivity] => [(24)(36)(34)(22)]
            [space_group] => Pm
            [pearson] => mP24
            [cn] => 4
            [Year] => 2013
            [cn_sort] => 004-
            [topology_str] => 4<sup>24</sup>T1
            [sp_atoms] => 
            [caid] => 351
            [nn] => 1
            [name] => 24B
            [pressure] => 20
            [density] => 
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2013_PhysRev_B_88_014102
            [publ_year] => 2013
            [ref] => 
        )

)

SACADA Database Code: 351

Topology: 4²⁴T1

# of independent nodes (IN): 24
Transitivity: [(24)(36)(34)(22)]
Space Group: Pm
Pearson: mP24
Coordination Number (CN): 4

Year: 2013

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Data

Name	Pressure, GPa	Density, g/cm³	Gap, eV	Relative energy, eV/atom	Bulk, GPa	Shear, GPa	Vickers, GPa	Refs
4²⁴T1 (SACADA #351)		3.491		0.657	418.0	487.0	92.0	SACADA¹
24B	20							doi: 10.1103/PhysRevB.88.014102

Elasticity tensor (kBar)¹

10723.8999	382.3349	950.4000	0.0000	-0.0000	-368.2240
382.3349	11294.0771	968.4283	-0.0000	0.0000	40.3582
950.4000	968.4283	11017.3194	-0.0000	0.0000	295.4403
0.0000	-0.0000	-0.0000	4187.9209	59.0442	0.0000
-0.0000	0.0000	0.0000	59.0442	5246.4648	0.0000
-368.2240	40.3582	295.4403	0.0000	0.0000	4765.0814

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