Application suitability scores (0-100) are heuristic estimates of how well a material might perform for a specific engineering application. They are NOT definitive predictions.
Methodology
Each application has a scoring function that:
- Checks hard requirements (e.g., solar absorbers must have band gap > 0.5 eV)
- Computes a weighted distance from ideal property values
- Normalizes to a 0-100 scale
Example: Solar Score
The solar absorber score considers:
- Band gap proximity to 1.34 eV (Shockley-Queisser optimum): 50% weight
- Direct vs. indirect gap bonus: 20% weight
- Thermodynamic stability (low Ehull): 20% weight
- Light element preference (lower density): 10% weight
Limitations
- Based only on bulk computed properties
- Does not account for defect chemistry, surfaces, or interfaces
- Does not consider synthesis feasibility, cost, or toxicity
- Scores are relative rankings, not absolute performance predictions
Use scores for initial screening, then validate with detailed calculations or experiments.