SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 1437
            [topology] => 4<sup>3</sup>T175
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3675]
            [space_group] => Cmmm
            [pearson] => oS20
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>3</sup>T175
            [sp_atoms] => 
            [caid] => 407
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.290
            [e_gap] => 
            [energy] => 0.920
            [bulk_mod] => 366.1
            [shear_mod] => 373.6
            [vicker_hard] => 67.8
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1438
            [topology] => 4<sup>3</sup>T175
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3675]
            [space_group] => Cmmm
            [pearson] => oS20
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>3</sup>T175
            [sp_atoms] => 
            [caid] => 407
            [nn] => 1
            [name] => G100
            [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: 407

Topology: 4³T175

# of independent nodes (IN): 3
Transitivity: [3675]
Space Group: Cmmm
Pearson: oS20
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
4³T175 (SACADA #407)		3.290		0.920	366.1	373.6	67.8	SACADA¹
G100								doi: 10.1002/cphc.201700151

Elasticity tensor (kBar)¹

10947.7932	1130.2861	19.2770	0.0000	-0.0000	0.0000
1130.2861	8900.3007	166.9715	0.0000	-0.0000	0.0000
19.2770	166.9715	10575.2770	-0.0000	0.0000	-0.0000
0.0000	0.0000	-0.0000	4675.4126	0.0000	0.0000
-0.0000	-0.0000	-0.0000	0.0000	1875.1021	0.0000
0.0000	0.0000	-0.0000	0.0000	0.0000	3706.2117

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