About

This tool simulates a Krypton atom in a cube. The atom has a diameter of 3.6892 Å. The size of the containing box may be changed using the options below. The void fraction of the cell and the volume of the sphere may be calculated with a Monte Carlo simulation using the panel on the right. Please note that using a large probe diameter will provide inaccuarate results. The probe diameter should be no larger than (box size - 4) Å. It is recommended to use at least 1000 probes to ensure accurate results.

Box Size

Select a Size
5A 10A 15A

Show Supercell

x1 x2 x3
y1 y2 y3
z1 z2 z3

Apply Supercell

Void Fraction

Calculate the void fraction with
Probes
of diameter
Angstroms

Submit

Volume

Calculate the volume with
Probes
of diameter
Angstroms

Submit

Output