GGen ran 40 trials across 8 Co-Si stoichiometries in 3.0 min, keeping 40 relaxed structures. 4 of them landed within 150 meV/atom of the convex hull, 4 of which the database had not seen before. The leading generated candidate is Co4Si4 in P2_1/c (#14), which sits 43 meV/atom above the hull (new polymorph).
Metric | Value |
|---|---|
Chemical system | Co-Si |
Stoichiometries | 8 |
Trials per stoichiometry | 5 |
Total trials | 40 |
Structures kept | 40 across 8 formulas |
Failed stoichiometries | 0 |
Phases on the hull | 0 |
Phases within 150 meV/atom | 4 |
New compositions | 0 |
New polymorphs | 4 |
Best hull distance | 43 meV/atom (Co4Si4) |
Wall time | 3.0 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 | 172 |
Generated by GGen | 100 |
From Alexandria | 37 |
From the Materials Project | 35 |
Unique formulas |
Hull distances are computed against every Co-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 | From this run |
|---|
Each structure below is its own CIF file produced by this run, ready to hand to another route.
Co4Si4 in P2_1/c (#14), 43 meV/atom above the hull, -6.844 eV/atom, 8 atoms.
Co5Si in Cmmm (#65), 52 meV/atom above the hull, -6.996 eV/atom, 12 atoms.
Co4Si in I4/m (#87), 82 meV/atom above the hull, -6.959 eV/atom, 10 atoms.
The hull is drawn from every Co-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-Si structure in the GGen database
Stage | Seconds | Share |
|---|---|---|
Candidate generation | 177.7 | 98% |
Candidate relaxation gpu | 150.7 | 83% |
Candidate generation wait | 15.8 |
Parameter | Value |
|---|---|
Min atoms | 2 |
Max atoms | 8 |
Trials per composition | 5 |
Max stoichiometries | 8 |
Structured exploration summary, parameters, database stats, and stable phase metadata
Selected stable or near-hull GGen candidates as CIF files
23 |
Subsystems covered | 3 |
Phases on the hull | 3 |
Phases within 150 meV/atom | 8 |
Exploration runs | 1 |
Last explored | 2026-10-01T15:35:21 |
E/atom (eV)
Atoms |
|---|
Volume/atom (ų) |
|---|
1 | Co2Si | Pnma (#62) | orthorhombic | 0 | yes | reference | MP | no | -7.008 | 12 | 10.7 |
2 | CoSi | P2_13 (#198) | cubic | 0 | yes | reference | MP | no | -6.887 | 8 | 10.9 |
3 | CoSi2 | Fm-3m (#225) | cubic | 0 | yes | reference | MP | no | -6.456 | 3 | 12.9 |
4 | Co4Si4 | P2_1/c (#14) | monoclinic | 43 | no | new polymorph | GGen | yes | -6.844 | 8 | 10.9 |
5 | Co5Si | Cmmm (#65) | orthorhombic | 52 | no | new polymorph | GGen | yes | -6.996 | 12 | 10.8 |
6 | Co3Si | P6_3/mmc (#194) | hexagonal | 72 | no | reference | MP | no | -6.956 | 8 | 10.6 |
7 | Co4Si | I4/m (#87) | tetragonal | 82 | no | new polymorph | GGen | yes | -6.959 | 10 | 10.9 |
8 | Co6Si2 | Fm-3m (#225) | cubic | 85 | no | new polymorph | GGen | yes | -6.943 | 16 | 10.9 |
GGen Co-Si candidate: P2_1/c (#14), 43 meV/atom above the hull, -6.844 eV/atom, 8 atoms
GGen Co-Si candidate: Cmmm (#65), 52 meV/atom above the hull, -6.996 eV/atom, 12 atoms
GGen Co-Si candidate: I4/m (#87), 82 meV/atom above the hull, -6.959 eV/atom, 10 atoms
9% |
Candidate selection | 8.6 | 5% |
Setup and load | 2.1 | 1% |
Hull and stability | 1.2 | 1% |
Candidate generation cpu | 1.0 | 1% |
Symmetry rerelaxation gpu | 0.8 | 0% |
Candidate recording | 0.6 | 0% |
Terminal generation | 0.6 | 0% |
Enumeration | 0.2 | 0% |
Finalization | 0.0 | 0% |
Total | 181.8 | 100% |
False |
Skip existing formulas | False |
Near-hull cutoff (eV/atom) | 0.15 |
Relaxation max steps | 200 |
Relaxation optimizer | fire |
Random seed | 42 |
GGen ran 40 trials across 8 Co-Si stoichiometries in 3.0 min, keeping 40 relaxed structures. 4 of them landed within 150 meV/atom of the convex hull, 4 of which the database had not seen before. The leading generated candidate is Co4Si4 in P2_1/c (#14), which sits 43 meV/atom above the hull (new polymorph).