GGen scouted 2 candidate systems for Co-Si-{X} across 36 trials in 3.8 min, retaining 9 structures within 150 meV/atom of the hull. 8 near-hull phases were new to the database. Co-Ni-Si (X=Ni) ranked highest with 0 phases on the hull and 5 within the cutoff, its closest at 87 meV/atom.
Metric | Value |
|---|---|
Template | Co-Si-{X} |
Candidate elements | 2 |
Systems scanned | 2 |
Systems failed | 0 |
Target crystal systems | any |
Near-hull cutoff | 150 meV/atom |
Total trials | 36 |
Structures kept | 60 |
Phases on the hull | 0 |
Phases within cutoff | 9 |
New compositions | 5 |
New polymorphs | 3 |
Top system | Co-Ni-Si (X=Ni) |
Best hull distance | 35 meV/atom |
Structures exported | 9 |
Total compute time | 3.8 min |
The shared GGen database carries the published structures for the scanned systems, so a generated phase whose composition is absent from them is new, and one whose space group is absent is a new polymorph. Hull counts cover compounds only.
Metric | Value |
|---|---|
Structures known | 13,351 |
Generated by GGen | 12,901 |
From Alexandria | 348 |
From the Materials Project | 102 |
Systems are ranked by hull occupancy, then by their closest structure.
Rank | System | X | Best E_hull (meV/atom) | On hull | Near hull | New | Trials | Best phase | Status |
|---|
Near-hull phases retained from this scout, ranked by hull distance across every scanned system.
# | System | Formula | Space group | Crystal system | E_hull (meV/atom) | On hull | Novelty | E/atom (eV) |
|---|
Each structure below is its own CIF file, ready to hand to another route.
CoFe3Si in R3m (#160), 35 meV/atom above the hull, -7.828 eV/atom, 15 atoms.
CoFeSi4 in Cm (#8), 72 meV/atom above the hull, -6.596 eV/atom, 12 atoms.
CoNi3Si in Cm (#8), 87 meV/atom above the hull, -6.249 eV/atom, 10 atoms.
Parameter | Value |
|---|---|
Candidate elements | Fe, Ni |
Trials per composition | 3 |
Max stoichiometries | 6 |
Min atoms | 2 |
Full ranking, retained near-hull hits, and the scan parameters needed to reproduce this scout
9 near-hull structures from the scouted systems, with a manifest mapping each CIF to its system, rank, and hull distance
GGen scouted 2 candidate systems for Co-Si-{X} across 36 trials in 3.8 min, retaining 9 structures within 150 meV/atom of the hull. 8 near-hull phases were new to the database. Co-Ni-Si (X=Ni) ranked highest with 0 phases on the hull and 5 within the cutoff, its closest at 87 meV/atom.
483 |
Subsystems covered | 11 |
Phases on the hull | 28 |
Phases within 150 meV/atom | 339 |
Exploration runs | 4 |
Last explored | 2026-10-01T15:41:58 |
1 | Co-Ni-Si | Ni | 87 | 0 | 5 | 4 | 18 | CoNi3Si / Cm | ok |
2 | Co-Fe-Si | Fe | 35 | 0 | 4 | 4 | 18 | CoFe3Si / R3m | ok |
Volume/atom (ų) |
|---|
1 | Co-Fe-Si | CoFe3Si | R3m (#160) | trigonal | 35 | no | new polymorph | -7.828 | 15 | 11.2 |
2 | Co-Fe-Si | CoFeSi4 | Cm (#8) | monoclinic | 72 | no | new composition | -6.596 | 12 | 12.8 |
3 | Co-Ni-Si | CoNi3Si | Cm (#8) | monoclinic | 87 | no | new composition | -6.249 | 10 | 10.8 |
4 | Co-Fe-Si | CoFe2Si3 | P-3m1 (#164) | trigonal | 104 | no | new composition | -7.159 | 6 | 10.7 |
5 | Co-Ni-Si | CoNi2Si3 | Amm2 (#38) | orthorhombic | 123 | no | new composition | -6.244 | 6 | 12.3 |
6 | Co-Ni-Si | Co3NiSi2 | Cm (#8) | monoclinic | 125 | no | new composition | -6.684 | 12 | 11.0 |
7 | Co-Ni-Si | Co2NiSi2 | Imm2 (#44) | orthorhombic | 127 | no | new polymorph | -6.594 | 10 | 10.8 |
8 | Co-Ni-Si | Co2Ni2Si2 | I4mm (#107) | tetragonal | 135 | no | known | -6.475 | 6 | 10.8 |
9 | Co-Fe-Si | Co2Fe2Si2 | I4mm (#107) | tetragonal | 149 | no | new polymorph | -7.290 | 6 | 10.9 |
GGen Co-Fe-Si candidate: R3m (#160), 35 meV/atom above the hull, -7.828 eV/atom, 15 atoms
GGen Co-Fe-Si candidate: Cm (#8), 72 meV/atom above the hull, -6.596 eV/atom, 12 atoms
GGen Co-Ni-Si candidate: Cm (#8), 87 meV/atom above the hull, -6.249 eV/atom, 10 atoms
6 |
Near-hull cutoff (eV/atom) | 0.15 |
Relaxation max steps | 150 |
Relaxation optimizer | fire |
Random seed | 42 |