Additional Reference List

[**Other Supplementary Materials for this manuscript includes the following:**]{}

-   Movies S1 to S2

Methods and computational details {#methcomp}
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Methods
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In this section we briefly describe how we assign a descriptor to a porous material using persistent homology. In order to assign the persistent homological descriptor to a material, we perform the following steps. We start by preparing a supercell of the material by expanding each unit cell to approximately the size of the largest unit cell of all considered materials, in order to compare materials that have unit cells of very different sizes. The pore system accessible to a gas molecule of interest is determined using the software package Zeo++. ([*1*]{}) The surface of this pore system is sampled with a fixed number of points per unit surface area. From these sampled points, filtered Vietoris-Rips complexes are constructed and their 0-, 1-, and 2-dimensional persistence barcodes computed using the software package Perseus. ([*2*]{}) We measure the distance between two barcodes by a combination of the $L^{2}$-landscape distances of the barcodes from the dimensions 0,1, and 2, using the Persistence Landscape Toolbox. ([*3*]{})

Computational details {#comp}
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The program Zeo++ ([*1*]{}) detects the accessible void 