SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 762
            [topology] => 3<sup>2</sup>,4T201
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3542]
            [space_group] => Fd-3m
            [pearson] => cF320
            [cn] => 3, 4 (9:1)
            [Year] => 2008
            [cn_sort] => 003-004-009-001-
            [topology_str] => 3<sup>2</sup>,4T201
            [sp_atoms] => 
            [caid] => 168
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => .963
            [e_gap] => 
            [energy] => 1.108
            [bulk_mod] => 26.3
            [shear_mod] => 16.8
            [vicker_hard] => 1.9
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 763
            [topology] => 3<sup>2</sup>,4T201
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3542]
            [space_group] => Fd-3m
            [pearson] => cF320
            [cn] => 3, 4 (9:1)
            [Year] => 2008
            [cn_sort] => 003-004-009-001-
            [topology_str] => 3<sup>2</sup>,4T201
            [sp_atoms] => 
            [caid] => 168
            [nn] => 1
            [name] => HD C40
            [pressure] => 
            [density] => 0.94
            [e_gap] => 1.01
            [energy] => 
            [bulk_mod] => 29.22
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2008_PhysRevB_77_113402
            [publ_year] => 2008
            [ref] => 
        )

    [2] => Array
        (
            [id] => 764
            [topology] => 3<sup>2</sup>,4T201
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3542]
            [space_group] => Fd-3m
            [pearson] => cF320
            [cn] => 3, 4 (9:1)
            [Year] => 2008
            [cn_sort] => 003-004-009-001-
            [topology_str] => 3<sup>2</sup>,4T201
            [sp_atoms] => 
            [caid] => 168
            [nn] => 2
            [name] => HD C40
            [pressure] => 
            [density] => 0.94
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 29.22
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2010_JSuperhardMat_32_67
            [publ_year] => 2010
            [ref] => 
        )

)

SACADA Database Code: 168

Topology: 3²,4T201

# of independent nodes (IN): 3
Transitivity: [3542]
Space Group: Fd-3m
Pearson: cF320
Coordination Number (CN): 3, 4 (9:1)

Year: 2008

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Data

Name	Pressure, GPa	Density, g/cm³	Gap, eV	Relative energy, eV/atom	Bulk, GPa	Shear, GPa	Vickers, GPa	Refs
3²,4T201 (SACADA #168)		.963		1.108	26.3	16.8	1.9	SACADA¹
HD C40		0.94	1.01		29.22			doi: 10.1103/PhysRevB.77.113402
HD C40		0.94			29.22			doi: 10.3103/s1063457610020012

Elasticity tensor (kBar)¹

412.3812	188.1023	188.1023	0.0000	-0.0000	0.0000
188.1023	412.3812	188.1023	-0.0000	-0.0000	0.0000
188.1023	188.1023	412.3812	0.0000	-0.0000	-0.0000
0.0000	-0.0000	0.0000	220.2866	0.0000	0.0000
-0.0000	-0.0000	-0.0000	0.0000	220.2866	0.0000
0.0000	0.0000	-0.0000	0.0000	0.0000	220.2866

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