GGen ran 700 trials across 70 Co-Fe-Si stoichiometries in 15.5 min, keeping 703 relaxed structures. 70 of them landed within 150 meV/atom of the convex hull, 70 of which the database had not seen before. The leading generated candidate is Co2Fe7Si in Amm2 (#38), which sits 6 meV/atom above the hull (new composition).
GGen ran 700 trials across 70 Co-Fe-Si stoichiometries in 15.5 min, keeping 703 relaxed structures. 70 of them landed within 150 meV/atom of the convex hull, 70 of which the database had not seen before. The leading generated candidate is Co2Fe7Si in Amm2 (#38), which sits 6 meV/atom above the hull (new composition).
Metric | Value |
|---|---|
Chemical system | Co-Fe-Si |
Stoichiometries | 70 |
Trials per stoichiometry | 10 |
Total trials | 700 |
Structures kept | 703 across 73 formulas |
Failed stoichiometries | 0 |
Phases on the hull | 0 |
Phases within 150 meV/atom | 70 |
New compositions | 67 |
New polymorphs | 3 |
Best hull distance | 6 meV/atom (Co2Fe7Si) |
Wall time | 15.5 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 | 10,125 |
Generated by GGen | 9,889 |
From Alexandria | 161 |
From the Materials Project | 75 |
Hull distances are computed against every Co-Fe-Si 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 300 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.
Co2Fe7Si in Amm2 (#38), 6 meV/atom above the hull, -8.035 eV/atom, 20 atoms.
GGen Co-Fe-Si candidate: Amm2 (#38), 6 meV/atom above the hull, -8.035 eV/atom, 20 atoms
Co4Fe10Si2 in I4mm (#107), 10 meV/atom above the hull, -7.927 eV/atom, 16 atoms.
GGen Co-Fe-Si candidate: I4mm (#107), 10 meV/atom above the hull, -7.927 eV/atom, 16 atoms
Co2Fe5Si in Immm (#71), 11 meV/atom above the hull, -7.926 eV/atom, 16 atoms.
GGen Co-Fe-Si candidate: Immm (#71), 11 meV/atom above the hull, -7.926 eV/atom, 16 atoms
The hull is drawn from every Co-Fe-Si 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-Si structure in the GGen database
Stage | Seconds | Share |
|---|---|---|
Candidate generation | 888.7 | 95% |
Candidate relaxation gpu | 759.0 | 81% |
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 |
382 |
Subsystems covered | 7 |
Phases on the hull | 18 |
Phases within 150 meV/atom | 300 |
Exploration runs | 1 |
Last explored | 2026-08-22T08:29:31 |
E/atom (eV) |
|---|
Atoms |
|---|
Volume/atom (ų) |
|---|
1 | Co2Fe14 | Im-3m (#229) | cubic | 0 | yes | known | GGen | no | -8.303 | 16 | 11.6 |
2 | Co2Si | Pnma (#62) | orthorhombic | 0 | yes | reference | MP | no | -7.008 | 12 | 10.7 |
3 | Co3Fe5 | Cmmm (#65) | orthorhombic | 0 | yes | known | GGen | no | -8.003 | 16 | 11.5 |
4 | Co4Fe4 | Pm-3m (#221) | cubic | 0 | yes | known | GGen | no | -7.834 | 2 | 11.5 |
5 | Co4Fe6 | P4/m (#83) | tetragonal | 0 | yes | new polymorph | GGen | no | -7.970 | 10 | 11.5 |
6 | Co5Fe11 | Amm2 (#38) | orthorhombic | 0 | yes | new polymorph | GGen | no | -8.082 | 32 | 11.6 |
7 | Co7Fe9 | Pm-3m (#221) | cubic | 0 | yes | known | GGen | no | -7.920 | 16 | 11.5 |
8 | CoFe15 | Cmmm (#65) | orthorhombic | 0 | yes | known | GGen | no | -8.369 | 32 | 11.5 |
9 | CoFe3 | P4/mmm (#123) | tetragonal | 0 | yes | known | GGen | no | -8.160 | 4 | 11.6 |
10 | CoSi | P2_13 (#198) | cubic | 0 | yes | reference | MP | no | -6.887 | 8 | 10.9 |
11 | CoSi2 | Fm-3m (#225) | cubic | 0 | yes | reference | MP | no | -6.456 | 3 | 12.9 |
12 | Fe13Co3 | P4/mmm (#123) | tetragonal | 0 | yes | reference | MP | no | -8.232 | 16 | 11.6 |
13 | Fe2CoSi | F-43m (#216) | cubic | 0 | yes | reference | MP | no | -7.714 | 4 | 11.0 |
14 | Fe3Co3Si2 | R3m (#160) | trigonal | 0 | yes | reference | MP | no | -7.553 | 8 | 11.1 |
15 | Fe3Si | Fm-3m (#225) | cubic | 0 | yes | reference | MP | no | -8.013 | 4 | 10.9 |
16 | Fe7Co | Im-3m (#229) | cubic | 0 | yes | reference | MP | no | -8.303 | 8 | 11.6 |
17 | FeSi | P2_13 (#198) | cubic | 0 | yes | reference | MP | no | -7.452 | 8 | 11.0 |
18 | FeSi2 | Cmce (#64) | orthorhombic | 0 | yes | reference | MP | no | -6.879 | 24 | 12.5 |
19 | Co2Fe6 | P4/mmm (#123) | tetragonal | 0 | no | known | GGen | no | -8.160 | 4 | 11.6 |
20 | CoFe24 | C2/m (#12) | monoclinic | 0 | no | new composition | GGen | no | -8.393 | 50 | 11.5 |
21 | Co4Fe8 | P2/m (#10) | monoclinic | 0 | no | new polymorph | GGen | no | -8.056 | 12 | 11.6 |
22 | CoFe20 | C2/m (#12) | monoclinic | 0 | no | new composition | GGen | no | -8.385 | 42 | 11.5 |
23 | Fe9Co7 | Pm-3m (#221) | cubic | 0 | no | reference | MP | no | -7.920 | 16 | 11.5 |
24 | CoFe11 | P2/m (#10) | monoclinic | 0 | no | new composition | GGen | no | -8.347 | 12 | 11.5 |
25 | CoFe13 | C2/m (#12) | monoclinic | 0 | no | new polymorph | GGen | no | -8.360 | 28 | 11.5 |
125.3 |
13% |
Terminal generation | 37.9 | 4% |
Setup and load | 3.3 | 0% |
Hull and stability | 1.3 | 0% |
Enumeration | 0.3 | 0% |
Finalization | 0.0 | 0% |
Total | 931.5 | 100% |
Crystal systems |
tetragonal, hexagonal |
Min element fraction | {'Fe': 0.4, 'Co': 0.2, 'Si': 0.03} |
Max element fraction | {'Si': 0.2} |
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