SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 1210
            [topology] => 4<sup>9</sup>T5
            [link_rcsr] => 
            [in_col] => 9
            [transitivity] => [9(15)(14)8]
            [space_group] => C2/m
            [pearson] => mS36
            [cn] => 4
            [Year] => 2013
            [cn_sort] => 004-
            [topology_str] => 4<sup>9</sup>T5
            [sp_atoms] => 
            [caid] => 304
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.447
            [e_gap] => 
            [energy] => 0.649
            [bulk_mod] => 414.5
            [shear_mod] => 476.1
            [vicker_hard] => 89.7
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1211
            [topology] => 4<sup>9</sup>T5
            [link_rcsr] => 
            [in_col] => 9
            [transitivity] => [9(15)(14)8]
            [space_group] => C2/m
            [pearson] => mS36
            [cn] => 4
            [Year] => 2013
            [cn_sort] => 004-
            [topology_str] => 4<sup>9</sup>T5
            [sp_atoms] => 
            [caid] => 304
            [nn] => 1
            [name] => 18A
            [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: 304

Topology: 4⁹T5

# of independent nodes (IN): 9
Transitivity: [9(15)(14)8]
Space Group: C2/m
Pearson: mS36
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
4⁹T5 (SACADA #304)		3.447		0.649	414.5	476.1	89.7	SACADA¹
18A	20							doi: 10.1103/PhysRevB.88.014102

Elasticity tensor (kBar)¹

11239.5396	557.8872	797.8256	-0.0000	0.0000	262.1240
557.8872	11076.8999	879.1747	-0.0000	0.0000	-369.7081
797.8256	879.1747	10514.9278	-0.0000	0.0000	123.5112
-0.0000	-0.0000	-0.0000	4682.7465	-456.0835	0.0000
0.0000	0.0000	0.0000	-456.0835	4877.8127	-0.0000
262.1240	-369.7081	123.5112	0.0000	-0.0000	4126.5191

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