For seven formulas, how the best energy found by ggen's random PyXtal + ORB search improves with the number of trials per stoichiometry. Resampled from 200 relaxed trials each: expected gap and 90th-percentile gap of best-of-n to best-of-200 (meV/atom), and the probability best-of-n lands within 5 or 25 meV/atom of best-of-200.
| Column | Range | Mean | Filled |
|---|---|---|---|
| formula | 7 distinct | — | 100% |
| num_atoms | 4–20 | 13.86 | 100% |
| n | 5–200 | 63.18 | 100% |
| mean_gap_mev | 0–118.5 | 17.88 | 100% |
| q90_gap_mev | 0–420.6 | 44.93 | 100% |
| p_within_5_mev | 4.6–100 | 70.09 | 100% |
| p_within_25_mev | 16.6–100 | 82.21 | 100% |