SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 406
            [topology] => mmt
            [link_rcsr] => http://rcsr.net/nets/mmt
            [in_col] => 1
            [transitivity] => [1331]
            [space_group] => Pccn
            [pearson] => oP8
            [cn] => 4
            [Year] => 2009
            [cn_sort] => 004-
            [topology_str] => mmt
            [sp_atoms] => 
            [caid] => 68
            [nn] => 0
            [name] => 
            [pressure] => 1000
            [density] => 3.533
            [e_gap] => 
            [energy] => 1.144
            [bulk_mod] => 352.9
            [shear_mod] => 209.4
            [vicker_hard] => 24.5
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 407
            [topology] => mmt
            [link_rcsr] => http://rcsr.net/nets/mmt
            [in_col] => 1
            [transitivity] => [1331]
            [space_group] => Pccn
            [pearson] => oP8
            [cn] => 4
            [Year] => 2009
            [cn_sort] => 004-
            [topology_str] => mmt
            [sp_atoms] => 
            [caid] => 68
            [nn] => 1
            [name] => OP8
            [pressure] => 
            [density] => 
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2009_JChemPhys_130_194512
            [publ_year] => 2009
            [ref] => 
        )

)

SACADA Database Code: 68

Topology: mmt

# of independent nodes (IN): 1
Transitivity: [1331]
Space Group: Pccn
Pearson: oP8
Coordination Number (CN): 4

Year: 2009

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Data

Name	Pressure, GPa	Density, g/cm³	Gap, eV	Relative energy, eV/atom	Bulk, GPa	Shear, GPa	Vickers, GPa	Refs
mmt (SACADA #68)	1000	3.533		1.144	352.9	209.4	24.5	SACADA¹
OP8								doi: 10.1063/1.3139060

Elasticity tensor (kBar)¹

4717.7309	-285.2554	2128.2620	-0.0000	-0.0000	-0.0000
-285.2554	14537.2558	797.6893	0.0000	-0.0000	-0.0000
2128.2620	797.6893	10335.4435	0.0000	0.0000	0.0000
-0.0000	0.0000	0.0000	3076.3878	0.0000	0.0000
-0.0000	-0.0000	0.0000	0.0000	5364.9959	-0.0000
-0.0000	-0.0000	0.0000	0.0000	-0.0000	3517.9184

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