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1,720 claims from 1,059 papers are on the record. 46 have been checked so far; the other 1,674 have no check with a result yet.

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Keyword: crystal structure database ×Clear all

1 claim from 1 paper

1. Materials Science › Machine Learning in Materials Science

   Finding Nature’s Missing Ternary Oxide Compounds Using Machine Learning and Density Functional Theory

   Hautier, Fischer, Jain, Mueller and Ceder · Chemistry of Materials · 2010

   The authors combined a probabilistic model trained on known crystal structures with high-throughput ab initio calculations to predict and test new compounds, and list the ternary oxides found.

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   1. UncheckedA machine-learning-guided computational search for new ternary oxides identified 209 new compounds within a limited computational budget.“We performed such a large-scale search for new ternary oxides, discovering 209 new compounds with a limited computational budget.”