NOMAD Chemical Formulas and Calculation IDs

`all-formula.csv` contains two columns: `calc_id` (Calculation ID) and `formula` (Chemical Formula). Some calculation IDs have missing chemical formulas. The list has also been filtered down to unique chemical formulas in `unique-formula.csv` along with the `calc_id`-s for each unique formula. No structural information is included directly in this data. `unique-formula.csv` can be used directly in <br>The data was downloaded on 2022-03-07. See https://github.com/sparks-baird/nomad-examples/blob/0.1.1/all_formula_basic_metadata.py for details on the data download and filtering process.