Database of MOF materials analyzed for flexibility


The tables below illustrate the various metal-organic frameworks (MOFs) explored in our analysis of structural flexibility. For each MOF, visualizations of the crystal structure and reduced, "truss" representation are provided, along with plots of the deformation analysis. Links to the Reticular Chemistry Structural Resource (RCSR) database entry for the underlying topology or net of each structure are also available by clicking on the structure name.

Click here to view animations of the flexible and semi-flexible modes of each structure.
Click here to return to the main page.

EMOFs
Name
Structure model
Truss model
Deformation analysis
IRMOF-1 structure IRMOF-1 truss IRMOF-1 deformation
HKUST-1 structure HKUST-1 truss HKUST-1 deformation
MIL-47 structure MIL-47 truss MIL-47 deformation
MIL-53 structure MIL-53 truss MIL-53 deformation
MIL-88 structure MIL-88 truss MIL-88 deformation
MOF-180 structure MOF-180 truss MOF-180 deformation
MOF-74 structure MOF-74 truss MOF-74 deformation
MOF-36 structure MOF-36 truss MOF-36 deformation
NU-110 structure NU-110 truss NU-110 deformation
DYB structure DYB truss DYB deformation

HMOFs
Name
Structure model
Truss model
Deformation analysis
ACS structure ACS truss ACS deformation
BOR structure BOR truss BOR deformation
CDS structure CDS truss CDS deformation
DIA structure DIA truss DIA deformation
HXG structure HXG truss HXG deformation
LVT structure LVT truss LVT deformation
NBO structure NBO truss NBO deformation
PCU structure PCU truss PCU deformation
PTO structure PTO truss PTO deformation
PYR structure PYR truss PYR deformation
RHR structure RHR truss RHR deformation
SHE structure SHE truss SHE deformation
SOD structure SOD truss SOD deformation


Website by Richard L. Martin (richardluismartin at lbl.gov), Lawrence Berkeley National Laboratory, July 2013.