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...

Volledige beschrijving

Bibliografische gegevens
Hoofdauteurs: Deringer, V, Pickard, CJ, Proserpio, DM
Formaat: Journal article
Taal:English
Gepubliceerd in: Wiley 2020