This dataset contains the machine-learned force field and dipole algorithms used to evaluate the IR spectrum of the Pb19S6(butyrate)26 nanocrystal. It also contains an example of the nanocrystal geome
This is a dataset about rational design of a Fe1−xS/FeS2 homologous heterostructure with exceptional high-rate performance for advanced sodium-ion battery anodes.The Fe1−xS/FeS2 proposed in this work
