Exploration of most important atom types in accepted calculated structures. Each atom type appearing in the enumerated MOFs appeared in at least ‘frequency threshold’ different accepted calculated structures. The listed number of atom types is the number of different atom types in these enumerated MOFs.
| Frequency threshold | # atom types | # MOFs | Frequency threshold | # atom types | # MOFs |
|---|---|---|---|---|---|
| 5 | 1167 | 1120 | 30 | 166 | 219 |
| 10 | 572 | 682 | 35 | 138 | 188 |
| 15 | 385 | 508 | 40 | 120 | 151 |
| 20 | 273 | 334 | 45 | 106 | 107 |
| 25 | 208 | 268 | 50 | 94 | 77 |