Search & Discover
Prioritize stable compounds before you spend simulation budget.
Formation Energy Predictor
Score candidate chemistries for formation energy, relative stability, and shortlist priority without manually stitching together multiple databases or running DFT on every option first.
Key outcomes
R² 0.933
held-out model fit
204K
training structures
Minutes
to rank a candidate set
What goes in
Inputs this feature expects
- Formula or structure candidates from search, literature, or lab notebooks
- Optional composition constraints for a screening batch
- Lists exported from materials discovery workflows
What comes out
Outputs your team can act on
- Predicted formation-energy ranking for every candidate
- A shortlist to send into DFT, synthesis, or deeper review
- Warehouse-backed context for why a candidate ranked where it did
Workflow
How teams use Formation Energy Predictor
01
Assemble the candidate pool
Start with formulas, structures, or upstream search results already inside Lattice Graph.
02
Score for stability
Run the predictor to estimate energetic favorability and triage obvious dead ends.
03
Promote the best options
Push the top-ranked materials into simulation, synthesis planning, or review queues.
Best fit
Where this feature adds the most leverage
- Front-loading materials screening before DFT
- Discovery teams ranking a large formula list
- Reducing manual spreadsheet triage for stability decisions
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