all-formula.csv contains two columns: calc_id (Calculation ID) and formula (Chemical Formula). These were restricted to VASP DFT calculations, and do not include noble gases nor r
Two columns: `calc_id` (Calculation ID) and `formula` (Chemical Formula). Some calculation IDs may have missing chemical formulas. The list has not been filtered down to unique chemical formulas. No s
`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
