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Hierarchically Structured Allotropes of Phosphorus from Data‐Driven Exploration

The discovery of materials is increasingly guided by quantum‐mechanical crystal‐structure prediction, but the structural complexity in bulk and nanoscale materials remains a bottleneck. Here we demonstrate how data‐driven approaches can vastly accelerate the search for complex structures, combining...

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Detalles Bibliográficos
Autores principales: Deringer, Volker L., Pickard, Chris J., Proserpio, Davide M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7540597/
https://www.ncbi.nlm.nih.gov/pubmed/32497368
http://dx.doi.org/10.1002/anie.202005031