Computational Screening of All Stoichiometric Inorganic Materials

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Forming a four-component compound from the first 103 elements of the peri- odic table results in more than 10 12 combinations. Such a materials space is intractable to high-throughput experiment or first-principle computation. We introduce a framework to address this problem and quantify how many materials can exist. We apply principles of valency and electronegativity to filter chemically implausible compositions, which reduces the inorganic quaternary space to 10 10 combinations.

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