Published April 21, 2023
| Version v1.0.0
Dataset
Open
Quantum-Chemical Bonding Database (Unprocessed data : Part 2)
Authors/Creators
- 1. Federal Institute for Materials Research and Testing
Description
This dataset is published as part of our publication: A Quantum-Chemical Bonding Database for Solid-State Materials. Details about the data generation, validation, and metadata description can be found in our publication.
Refer to mpids.txt to see data related to which compounds are available in the tar file. (mp-xxx refer to Materials Project ID)
Files
mpids.txt
Additional details
Related works
- Is supplemented by
- Software: 10.5281/zenodo.8172527 (DOI)