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FraGen structures

Code   Help

 

Crystallographic Data:

Space Group   Help

Cell Parameters:  Help

(+/- ) Ao

α  (+/- ) o

(+/- ) Ao

β  (+/- ) o

(+/- ) Ao

γ   (+/- ) o

Volume  (+/- ) A3  Help

Framework Density   (+/- Help

Unique T Atoms   (+/- Help

Total T Atoms   (+/- Help

 

        

 

Topological Data:

TD10  (+/- Help

CSQ:  Help

Loop Configurations    Help    Full list of loop configurations

Largest Ring Size   Help

Vertex Symbols:  Help

 

        

 

Pore Geometries: 

Accessible Volume  (+/- ) A3  Help

Cavities    Help    Full list of cavities

Channels:  Help

Dimensionality  

1st Direction    

2nd Direction   

3rd Direction   

Simulated XRD:  Help

Peak1  (+/- ) o

Peak2  (+/- ) o

Peak3  (+/- ) o

 

Framework Energy  (+/- ) kcal/(molĚT)  Help