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By integrating distance- and charge-based clustering to identify chemical species within the mineral bulk, our pipeline,\n                    <jats:italic>PolyCleaver<\/jats:italic>\n                    , renders a variety of theoretically viable surface terminations. As a demonstrative example, this approach was applied to forsterite (Mg\n                    <jats:sub>2<\/jats:sub>\n                    SiO\n                    <jats:sub>4<\/jats:sub>\n                    ), unveiling a rich interface landscape based on interactions with formaldehyde, a relevant multifaceted molecule, and more particularly in prebiotic chemistry. 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