Back to Search
Start Over
High-throughput Calculation of Atomic Planar Density for Compounds
- Publication Year :
- 2021
- Publisher :
- Cambridge University Press (CUP), 2021.
-
Abstract
- A large collection of element-wise planar densities for compounds obtained from the Materials Project is calculated using brute force computational geometry methods. We demonstrate that the element-wise max lattice plane densities can be useful as machine learning features. The methods described here are implemented in an open-source Mathematica package hosted at https://github.com/sgbaird/LatticePlane.
Details
- Database :
- OpenAIRE
- Accession number :
- edsair.doi...........03c366fdbacabc7f06ee16ed91e6c1e5