Table 1 The number of new structures (not in the database) at each iteration.
From: Predicting stable crystalline compounds using chemical similarity
Loop | Structure | Elementary | Binary | Ternary | Quaternary | Quinternary |
|---|---|---|---|---|---|---|
1 | 59,853 | 370 (0.62%) | 14,309 (23.9%) | 40,455 (67.6%) | 4432 (7.4%) | 287 (0.48%) |
2 | 50,917 | 44 (0.09%) | 5708 (11.2%) | 38,959 (76.5%) | 6077 (11.9%) | 129 (0.25%) |
3 | 79,211 | 45 (0.06%) | 6554 (8.3%) | 60,136 (75.9%) | 12,216 (15.4%) | 260 (0.33%) |
Total | 189,981 | 459 (0.24%) | 26571 (14.0%) | 139,550 (73.5%) | 22,725 (12.0%) | 676 (0.36%) |
