GGen ran 1,000 trials across 100 Co-Fe-N-V stoichiometries in 25.5 min, keeping 881 relaxed structures. 45 of them landed within 150 meV/atom of the convex hull, 45 of which the database had not seen before. The leading generated candidate is Fe15N in C2/m (#12), which sits 22 meV/atom above the hull (new composition).
GGen ran 1,000 trials across 100 Co-Fe-N-V stoichiometries in 25.5 min, keeping 881 relaxed structures. 45 of them landed within 150 meV/atom of the convex hull, 45 of which the database had not seen before. The leading generated candidate is Fe15N in C2/m (#12), which sits 22 meV/atom above the hull (new composition).
Metric | Value |
|---|---|
Chemical system | Co-Fe-N-V |
Stoichiometries | 100 |
Trials per stoichiometry | 10 |
Total trials | 1,000 |
Structures kept | 881 across 104 formulas |
Failed stoichiometries | 0 |
Phases on the hull | 0 |
Phases within 150 meV/atom | 45 |
New compositions | 45 |
New polymorphs | 0 |
Best hull distance | 22 meV/atom (Fe15N) |
Wall time | 25.5 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 | 8,491 |
Generated by GGen | 8,189 |
From Alexandria | 175 |
From the Materials Project | 127 |
Hull distances are computed against every Co-Fe-N-V 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 531 phases; the summary JSON below has the full list.
Each structure below is its own CIF file produced by this run, ready to hand to another route.
Fe15N in C2/m (#12), 22 meV/atom above the hull, -8.430 eV/atom, 32 atoms.
GGen Co-Fe-N-V candidate: C2/m (#12), 22 meV/atom above the hull, -8.430 eV/atom, 32 atoms
Fe13N in C2/m (#12), 26 meV/atom above the hull, -8.429 eV/atom, 28 atoms.
GGen Co-Fe-N-V candidate: C2/m (#12), 26 meV/atom above the hull, -8.429 eV/atom, 28 atoms
Fe9N in C2/m (#12), 31 meV/atom above the hull, -8.431 eV/atom, 20 atoms.
GGen Co-Fe-N-V candidate: C2/m (#12), 31 meV/atom above the hull, -8.431 eV/atom, 20 atoms
The hull is drawn from every Co-Fe-N-V 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-V structure in the GGen database
Stage | Seconds | Share |
|---|---|---|
Candidate generation | 1462.0 | 96% |
Candidate relaxation gpu | 1309.1 | 86% |
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 |
1,000 |
Subsystems covered | 15 |
Phases on the hull | 26 |
Phases within 150 meV/atom | 531 |
Exploration runs | 1 |
Last explored | 2026-08-19T06:25:20 |
E/atom (eV) |
|---|
Atoms |
|---|
Volume/atom (ų) |
|---|
1 | Fe7Co | Im-3m (#229) | cubic | -0 | yes | reference | MP | no | -8.303 | 8 | 11.6 |
2 | Co10Fe14 | P-3m1 (#164) | trigonal | 0 | yes | new polymorph | GGen | no | -7.947 | 24 | 11.5 |
3 | Co2Fe14 | Im-3m (#229) | cubic | 0 | yes | known | GGen | no | -8.303 | 16 | 11.6 |
4 | Co4Fe4 | Pm-3m (#221) | cubic | 0 | yes | known | GGen | no | -7.834 | 8 | 11.5 |
5 | Co4Fe8 | P2/m (#10) | monoclinic | 0 | yes | new polymorph | GGen | no | -8.056 | 12 | 11.6 |
6 | Co6Fe10 | Im-3m (#229) | cubic | 0 | yes | known | GGen | no | -8.003 | 16 | 11.6 |
7 | CoFe13 | C2/m (#12) | monoclinic | 0 | yes | new polymorph | GGen | no | -8.360 | 28 | 11.5 |
8 | CoFe20 | C2/m (#12) | monoclinic | 0 | yes | new composition | GGen | no | -8.385 | 42 | 11.5 |
9 | CoFe24 | C2/m (#12) | monoclinic | 0 | yes | new composition | GGen | no | -8.393 | 50 | 11.5 |
10 | CoFe3 | P4/mmm (#123) | tetragonal | 0 | yes | known | GGen | no | -8.160 | 4 | 11.6 |
11 | Fe10V | C2/m (#12) | monoclinic | 0 | yes | new composition | GGen | no | -8.568 | 22 | 11.6 |
12 | Fe10V2 | Cmmm (#65) | orthorhombic | 0 | yes | new composition | GGen | no | -8.665 | 12 | 11.7 |
13 | Fe11Co5 | P4/mmm (#123) | tetragonal | 0 | yes | reference | MP | no | -8.082 | 16 | 11.6 |
14 | Fe13Co3 | P4/mmm (#123) | tetragonal | 0 | yes | reference | MP | no | -8.232 | 16 | 11.6 |
15 | Fe3N | P6_322 (#182) | hexagonal | 0 | yes | reference | MP | no | -8.502 | 8 | 10.1 |
16 | Fe4V | R-3m (#166) | trigonal | 0 | yes | new polymorph | GGen | no | -8.705 | 15 | 11.8 |
17 | Fe6V2 | Fm-3m (#225) | cubic | 0 | yes | known | GGen | no | -8.750 | 16 | 11.7 |
18 | Fe9Co7 | Pm-3m (#221) | cubic | 0 | yes | reference | MP | no | -7.920 | 16 | 11.5 |
19 | Fe9V | R-3m (#166) | trigonal | 0 | yes | new composition | GGen | no | -8.580 | 30 | 11.6 |
20 | FeN | F-43m (#216) | cubic | 0 | yes | reference | MP | no | -8.518 | 2 | 9.5 |
21 | V2N | P-31m (#162) | trigonal | 0 | yes | reference | MP | no | -9.805 | 9 | 10.6 |
22 | V3Co | Pm-3n (#223) | cubic | 0 | yes | reference | MP | no | -8.789 | 8 | 12.6 |
23 | V3Fe | Pm-3n (#223) | cubic | 0 | yes | reference | MP | no | -9.110 | 8 | 12.5 |
24 | VCo3 | Pm-3m (#221) | cubic | 0 | yes | reference | MP | no | -7.774 | 4 | 10.8 |
25 | VFe7 | R-3m (#166) | trigonal | 0 | yes | reference | MP | no | -8.614 | 8 | 11.6 |
272.2 |
18% |
Terminal generation | 62.3 | 4% |
Hull and stability | 1.7 | 0% |
Enumeration | 1.0 | 0% |
Setup and load | 0.8 | 0% |
Finalization | 0.0 | 0% |
Total | 1527.8 | 100% |
Crystal systems |
tetragonal, hexagonal |
Min element fraction | {'N': 0.03, 'Fe': 0.4} |
Max element fraction | {'V': 0.12, 'N': 0.15} |
Require all elements | False |
Skip existing formulas | False |
Near-hull cutoff (eV/atom) | 0.15 |
Relaxation max steps | 400 |
Relaxation optimizer | fire |
Selected stable or near-hull GGen candidates as CIF files