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...

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Detalles Bibliográficos
Autores principales: Davies, Daniel W., Butler, Keith T., Jackson, Adam J., Morris, Andrew, Frost, Jarvist M., Skelton, Jonathan M., Walsh, Aron
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2016
Materias:
Article
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

Internet

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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