SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 1383
            [topology] => 4<sup>2</sup>T10
            [link_rcsr] => 
            [in_col] => 2
            [transitivity] => [2551]
            [space_group] => C2/c
            [pearson] => mS16
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>2</sup>T10
            [sp_atoms] => 
            [caid] => 380
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.155
            [e_gap] => 
            [energy] => 0.959
            [bulk_mod] => 359.5
            [shear_mod] => 334.5
            [vicker_hard] => 57.1
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1384
            [topology] => 4<sup>2</sup>T10
            [link_rcsr] => 
            [in_col] => 2
            [transitivity] => [2551]
            [space_group] => C2/c
            [pearson] => mS16
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>2</sup>T10
            [sp_atoms] => 
            [caid] => 380
            [nn] => 1
            [name] => G60
            [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: 380

Topology: 4²T10

# of independent nodes (IN): 2
Transitivity: [2551]
Space Group: C2/c
Pearson: mS16
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
4²T10 (SACADA #380)		3.155		0.959	359.5	334.5	57.1	SACADA¹
G60								doi: 10.1002/cphc.201700151

Elasticity tensor (kBar)¹

7604.8231	1378.6713	1165.0348	5.8464	-116.1898	1.5745
1378.6713	8638.0986	1073.2655	7.4800	-702.2659	-3.6728
1165.0348	1073.2655	8924.1383	3.7932	861.0392	0.9028
5.8464	7.4800	3.7932	2461.5931	-2.4416	860.6843
-116.1898	-702.2659	861.0392	-2.4416	3698.6924	0.4932
1.5745	-3.6728	0.9028	860.6843	0.4932	4078.0909

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