MOF Explorer

Display Options

Display
Structure Channels
Grid resolution: Å
Probe Size: Å

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Atom display type
Ball and Stick
Spacefill
Wireframe

Unit Cell Display
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x1 x2 x3
y1 y2 y3
z1 z2 z3

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Void Fraction

Calculate the void fraction with
Probes
of diameter
Angstroms

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Surface Area

Calculate the solvent-accessible surface area with
Probes per atom
of diameter
Angstroms

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Pore Size Distribution

Calculate the pore size distribution with
Probes
and a maximum pore size of
Angstroms

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Output

X
 X
The channel space is computed by placing probes at all empty locations.
The resultant XYZ file can be opened in most common molecular visualizers.
X
The void fraction is a measure of the emptiness of the unit cell.
It is recommended to use at least 10 000 probes and a small (< 2 Å) probe size for optimal results.
 X
The surface area is a measure of the exposure of the structure atoms to solvent probes.
It is recommended to use at least 20 probes per atom. Often an N2 probe is used of diameter 3.72 Å.
 X
The pore size distribution is a measure of the size and abundance of available pore space.
It is recommended to use at least 500 probes and a maximum pore size smaller than the unit cell.
The PSD is a computationally intense calculation and may take a few minutes.