SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 1348
            [topology] => 4<sup>14</sup>T2
            [link_rcsr] => 
            [in_col] => 14
            [transitivity] => [(14)(21)(19)(12)]
            [space_group] => Cm
            [pearson] => mS28
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>14</sup>T2
            [sp_atoms] => 
            [caid] => 363
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.417
            [e_gap] => 
            [energy] => 0.679
            [bulk_mod] => 408.8
            [shear_mod] => 468.2
            [vicker_hard] => 88.2
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1349
            [topology] => 4<sup>14</sup>T2
            [link_rcsr] => 
            [in_col] => 14
            [transitivity] => [(14)(21)(19)(12)]
            [space_group] => Cm
            [pearson] => mS28
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>14</sup>T2
            [sp_atoms] => 
            [caid] => 363
            [nn] => 1
            [name] => G14
            [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: 363

Topology: 4¹⁴T2

# of independent nodes (IN): 14
Transitivity: [(14)(21)(19)(12)]
Space Group: Cm
Pearson: mS28
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
4¹⁴T2 (SACADA #363)		3.417		0.679	408.8	468.2	88.2	SACADA¹
G14								doi: 10.1002/cphc.201700151

Elasticity tensor (kBar)¹

11395.4113	382.9963	710.0108	-0.0000	-0.0000	322.3853
382.9963	11098.1673	888.4504	-0.0000	0.0000	-158.4944
710.0108	888.4504	10341.8307	0.0000	-0.0000	-52.9915
-0.0000	-0.0000	0.0000	4495.1896	-157.2634	0.0000
-0.0000	0.0000	-0.0000	-157.2634	4854.6530	0.0000
322.3853	-158.4944	-52.9915	0.0000	0.0000	3915.3275

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