Rank by predicted formation energy 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
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
Assemble the candidate pool
Start with formulas, structures, or upstream search results already inside Lattice Graph.
Score for stability
Run the predictor to estimate energetic favorability and triage obvious dead ends.
Promote the best options
Push the top-ranked materials into simulation, synthesis planning, or review queues.
Best fit
Where this feature fits best
- Front-loading materials screening before DFT
- Discovery teams ranking a large formula list
- Reducing manual spreadsheet triage for stability decisions
Related features
More in Search & Discover
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Scores from 0-1 based on agreement across every indexed source that reports the formula.
Similarity Search
Find materials like NMC811 but without cobalt using compositional and property context.
Batch Formula Screener
Paste up to 500 formulas and get a ranked triage list back in a single pass.