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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...
Autores principales: | Deringer, Volker L., Pickard, Chris J., Proserpio, Davide M. |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
John Wiley and Sons Inc.
2020
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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 |
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