GGen ran 110 trials across 11 Co-Fe-N-Pb stoichiometries in 4.9 min, keeping 97 relaxed structures. 0 of them landed within 150 meV/atom of the convex hull, 0 of which the database had not seen before.
GGen ran 110 trials across 11 Co-Fe-N-Pb stoichiometries in 4.9 min, keeping 97 relaxed structures. 0 of them landed within 150 meV/atom of the convex hull, 0 of which the database had not seen before.
Metric | Value |
|---|---|
Chemical system | Co-Fe-N-Pb |
Stoichiometries | 11 |
Trials per stoichiometry | 10 |
Total trials | 110 |
Structures kept | 97 across 15 formulas |
Failed stoichiometries | 0 |
Phases on the hull | 0 |
Phases within 150 meV/atom | 0 |
New compositions | 0 |
New polymorphs | 0 |
Best hull distance | - |
Wall time | 4.9 min |
The shared GGen database carries the published structures for this system, so a generated phase whose formula is absent from them is a new composition, and one whose space group is absent is a new polymorph. Hull counts cover compounds only.
Metric | Value |
|---|---|
Structures known | 13,485 |
Generated by GGen | 13,203 |
From Alexandria | 178 |
From the Materials Project | 104 |
Hull distances are computed against every Co-Fe-N-Pb structure in the shared GGen database, so phases from earlier runs and from the Materials Project appear alongside this run's candidates.
# | Formula | Space group | Crystal system | E_hull (meV/atom) | On hull | Novelty | Source |
|---|
Showing the 25 closest of 478 phases; the summary JSON below has the full list.
This run produced no phase within 150 meV/atom of the hull that improved on what the database already held for its composition, so there is nothing new to publish here. The table above still lists the best known phases for the system.
The hull is drawn from every Co-Fe-N-Pb structure in the database, published and generated alike, so the binary phases that shape it appear alongside this run's candidates.
Interactive phase diagram built from every Co-Fe-N-Pb structure in the GGen database
Stage | Seconds | Share |
|---|---|---|
Candidate generation | 234.6 | 80% |
Candidate relaxation gpu | 205.9 | 70% |
Candidate generation cpu |
Parameter | Value |
|---|---|
Min atoms | 2 |
Max atoms | 16 |
Trials per composition | 10 |
Max stoichiometries | 100 |
Structured exploration summary, parameters, database stats, and stable phase metadata
Unique formulas |
922 |
Subsystems covered | 15 |
Phases on the hull | 12 |
Phases within 150 meV/atom | 478 |
Exploration runs | 1 |
Last explored | 2026-08-22T09:40:51 |
E/atom (eV) |
|---|
Atoms |
|---|
Volume/atom (ų) |
|---|
1 | Co2Fe14 | Im-3m (#229) | cubic | 0 | yes | known | GGen | no | -8.303 | 16 | 11.6 |
2 | Co3Fe5 | Cmmm (#65) | orthorhombic | 0 | yes | known | GGen | no | -8.003 | 16 | 11.5 |
3 | Co4Fe4 | Pm-3m (#221) | cubic | 0 | yes | known | GGen | no | -7.834 | 2 | 11.5 |
4 | Co4Fe6 | P4/m (#83) | tetragonal | 0 | yes | new polymorph | GGen | no | -7.970 | 10 | 11.5 |
5 | Co5Fe11 | Amm2 (#38) | orthorhombic | 0 | yes | new polymorph | GGen | no | -8.082 | 32 | 11.6 |
6 | Co7Fe9 | Pm-3m (#221) | cubic | 0 | yes | known | GGen | no | -7.920 | 16 | 11.5 |
7 | CoFe15 | Cmmm (#65) | orthorhombic | 0 | yes | known | GGen | no | -8.369 | 32 | 11.5 |
8 | CoFe3 | P4/mmm (#123) | tetragonal | 0 | yes | known | GGen | no | -8.160 | 4 | 11.6 |
9 | Fe13Co3 | P4/mmm (#123) | tetragonal | 0 | yes | reference | MP | no | -8.232 | 16 | 11.6 |
10 | Fe3N | P6_322 (#182) | hexagonal | 0 | yes | reference | MP | no | -8.502 | 8 | 10.1 |
11 | Fe7Co | Im-3m (#229) | cubic | 0 | yes | reference | MP | no | -8.303 | 8 | 11.6 |
12 | FeN | F-43m (#216) | cubic | 0 | yes | reference | MP | no | -8.518 | 2 | 9.5 |
13 | Co2Fe6 | P4/mmm (#123) | tetragonal | 0 | no | known | GGen | no | -8.160 | 4 | 11.6 |
14 | CoFe24 | C2/m (#12) | monoclinic | 0 | no | new composition | GGen | no | -8.393 | 50 | 11.5 |
15 | Co4Fe8 | P2/m (#10) | monoclinic | 0 | no | new polymorph | GGen | no | -8.056 | 12 | 11.6 |
16 | CoFe20 | C2/m (#12) | monoclinic | 0 | no | new composition | GGen | no | -8.385 | 42 | 11.5 |
17 | Fe9Co7 | Pm-3m (#221) | cubic | 0 | no | reference | MP | no | -7.920 | 16 | 11.5 |
18 | CoFe11 | P2/m (#10) | monoclinic | 0 | no | new composition | GGen | no | -8.347 | 12 | 11.5 |
19 | CoFe13 | C2/m (#12) | monoclinic | 0 | no | new polymorph | GGen | no | -8.360 | 28 | 11.5 |
20 | Co2Fe2 | Pm-3m (#221) | cubic | 0 | no | known | GGen | no | -7.833 | 2 | 11.5 |
21 | Co8Fe8 | Pm-3m (#221) | cubic | 0 | no | known | GGen | no | -7.833 | 2 | 11.5 |
22 | Fe3Co | P4/mmm (#123) | tetragonal | 0 | no | reference | MP | no | -8.159 | 4 | 11.6 |
23 | CoFe | Pm-3m (#221) | cubic | 0 | no | known | GGen | no | -7.833 | 2 | 11.5 |
24 | Co4Fe12 | P4/mmm (#123) | tetragonal | 0 | no | known | GGen | no | -8.159 | 4 | 11.6 |
25 | FeCo | Pm-3m (#221) | cubic | 0 | no | reference | MP | no | -7.833 | 2 | 11.5 |
89.8 |
30% |
Terminal generation | 56.3 | 19% |
Hull and stability | 1.7 | 1% |
Setup and load | 1.3 | 0% |
Enumeration | 1.0 | 0% |
Finalization | 0.0 | 0% |
Total | 294.9 | 100% |
Crystal systems |
tetragonal, hexagonal |
Min element fraction | {'Fe': 0.5, 'Co': 0.2, 'Pb': 0.01, 'N': 0.01} |
Max element fraction | {'Pb': 0.1, 'N': 0.08} |
Require all elements | False |
Skip existing formulas | False |
Near-hull cutoff (eV/atom) | 0.15 |
Relaxation max steps | 400 |
Relaxation optimizer | fire |