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Array
(
    [0] => Array
        (
            [id] => 845
            [topology] => 4<sup>3</sup>T137
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [38(11)7]
            [space_group] => Pmmm
            [pearson] => oP16
            [cn] => 4
            [Year] => 2015
            [cn_sort] => 004-
            [topology_str] => 4<sup>3</sup>T137
            [sp_atoms] => 
            [caid] => 194
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.179
            [e_gap] => 
            [energy] => 1.026
            [bulk_mod] => 363.8
            [shear_mod] => 321.9
            [vicker_hard] => 52.2
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 846
            [topology] => 4<sup>3</sup>T137
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [38(11)7]
            [space_group] => Pmmm
            [pearson] => oP16
            [cn] => 4
            [Year] => 2015
            [cn_sort] => 004-
            [topology_str] => 4<sup>3</sup>T137
            [sp_atoms] => 
            [caid] => 194
            [nn] => 1
            [name] => (4,0)
            [pressure] => 255
            [density] => 3.30
            [e_gap] => 5.39
            [energy] => 
            [bulk_mod] => 401
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2015_ChinPhysB_066102
            [publ_year] => 2015
            [ref] => 
        )

)
General information SACADA Check your allotrope Apps Cite this: Angew. Chem. Int. Ed. 2016, 55, 10962–10976 

SACADA Database Code: 194

Topology: 43T137

# of independent nodes (IN): 3
Transitivity: [38(11)7]
Space Group: Pmmm
Pearson: oP16
Coordination Number (CN): 4

Year: 2015

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Style:  Wireframe   Capped sticks   Spacefill   Ball&Sticks
Labels:  No Labels   All Atoms
Translations:  {1x1x1}   {2x2x2}  {3x3x3}
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Data

Name

Pressure, GPa

Density, g/cm³

Gap, eV

Relative energy, eV/atom

Bulk, GPa

Shear, GPa

Vickers, GPa

Refs
43T137 (SACADA #194)3.1791.026363.8321.952.2SACADA¹
(4,0)2553.305.39401doi: 10.1088/1674-1056/24/6/066102 
Elasticity tensor (kBar)¹

9243.2910583.7021637.7171325.16189.6811183.8550
583.702110244.1654939.1205-394.0760227.7606-48.4950
637.7171939.12058982.6130-18.1280-167.3053-136.6040
325.1618-394.0760-18.12802298.3365-39.9784-31.9953
9.6811227.7606-167.3053-39.97842702.389822.3729
183.8550-48.4950-136.6040-31.995322.37292893.0952

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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© 2016 – 2026 SCTMS  Team References support@sacada.info Cite this: Angew. Chem. Int. Ed. 2016, 55, 10962–10976 
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