SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 1329
            [topology] => tep
            [link_rcsr] => http://rcsr.net/nets/tep
            [in_col] => 28
            [transitivity] => [(28)(48)(32)9]
            [space_group] => Pm-3n
            [pearson] => cP920
            [cn] => 4
            [Year] => 1998
            [cn_sort] => 004-
            [topology_str] => tep
            [caid] => 354
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => -
            [e_gap] => 
            [energy] => -
            [bulk_mod] => -
            [shear_mod] => -
            [vicker_hard] => -
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1330
            [topology] => tep
            [link_rcsr] => http://rcsr.net/nets/tep
            [in_col] => 28
            [transitivity] => [(28)(48)(32)9]
            [space_group] => Pm-3n
            [pearson] => cP920
            [cn] => 4
            [Year] => 1998
            [cn_sort] => 004-
            [topology_str] => tep
            [caid] => 354
            [nn] => 1
            [name] => Tp
            [pressure] => 
            [density] => 
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/PhilMagLetts_78_21_28_1998
            [publ_year] => 
            [ref] => 
        )

    [2] => Array
        (
            [id] => 1331
            [topology] => tep
            [link_rcsr] => http://rcsr.net/nets/tep
            [in_col] => 28
            [transitivity] => [(28)(48)(32)9]
            [space_group] => Pm-3n
            [pearson] => cP920
            [cn] => 4
            [Year] => 1998
            [cn_sort] => 004-
            [topology_str] => tep
            [caid] => 354
            [nn] => 2
            [name] => clathrate I+II
            [pressure] => 
            [density] => 3.03
            [e_gap] => 4.7
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2011_InorgChem_50_1733_1742_1733
            [publ_year] => 2011
            [ref] => 
        )

)

SACADA Database Code: 354

Topology: tep

# of independent nodes (IN): 28
Transitivity: [(28)(48)(32)9]
Space Group: Pm-3n
Pearson: cP920
Coordination Number (CN): 4

Year: 1998

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Data

Name	Pressure, GPa	Density, g/cm³	Gap, eV	Relative energy, eV/atom	Bulk, GPa	Shear, GPa	Vickers, GPa	Refs
tep (SACADA #354)		-		-	-	-	-	SACADA¹
Tp								link
clathrate I+II		3.03	4.7					doi: 10.1021/ic102178d

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