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Computational Screening of All Stoichiometric Inorganic Materials
Forming a four-component compound from the first 103 elements of the periodic 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 mat...
Autores principales: | Davies, Daniel W., Butler, Keith T., Jackson, Adam J., Morris, Andrew, Frost, Jarvist M., Skelton, Jonathan M., Walsh, Aron |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Elsevier
2016
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5074417/ https://www.ncbi.nlm.nih.gov/pubmed/27790643 http://dx.doi.org/10.1016/j.chempr.2016.09.010 |
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