SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 1169
            [topology] => 3,4<sup>7</sup>T1
            [link_rcsr] => 
            [in_col] => 8
            [transitivity] => [8998]
            [space_group] => Cmmm
            [pearson] => oS32
            [cn] => 3, 4 (1:7)
            [Year] => 2013
            [cn_sort] => 003-004-001-007-
            [topology_str] => 3,4<sup>7</sup>T1
            [sp_atoms] => 
            [caid] => 288
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.443
            [e_gap] => 
            [energy] => 0.663
            [bulk_mod] => 427.8
            [shear_mod] => 400.3
            [vicker_hard] => 68.6
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1170
            [topology] => 3,4<sup>7</sup>T1
            [link_rcsr] => 
            [in_col] => 8
            [transitivity] => [8998]
            [space_group] => Cmmm
            [pearson] => oS32
            [cn] => 3, 4 (1:7)
            [Year] => 2013
            [cn_sort] => 003-004-001-007-
            [topology_str] => 3,4<sup>7</sup>T1
            [sp_atoms] => 
            [caid] => 288
            [nn] => 1
            [name] => 16C
            [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: 288

Topology: 3,4⁷T1

# of independent nodes (IN): 8
Transitivity: [8998]
Space Group: Cmmm
Pearson: oS32
Coordination Number (CN): 3, 4 (1:7)

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
3,4⁷T1 (SACADA #288)		3.443		0.663	427.8	400.3	68.6	SACADA¹
16C	20							doi: 10.1103/PhysRevB.88.014102

Elasticity tensor (kBar)¹

10787.7241	1647.4027	1444.1565	-0.0000	-0.0000	-0.0000
1647.4027	9219.3929	337.8136	-0.0000	-0.0000	-0.0000
1444.1565	337.8136	11880.6707	0.0000	0.0000	0.0000
-0.0000	-0.0000	0.0000	2315.9096	0.0000	-0.0000
-0.0000	-0.0000	0.0000	0.0000	3660.5168	0.0000
-0.0000	-0.0000	0.0000	-0.0000	0.0000	5563.2456

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