03 · X-Score Lab
Scoring methodology
The X-Score is a weighted aggregation across eight subscores. Subscores are independent, on a 0–100 scale, and reflect physical, computational, and feasibility considerations. Adjust subscores to interrogate how candidate ranking changes.
Methodology
Subscore definitions & weights
Weights sum to 1.00. The overall X-Score is the weighted mean rounded to the nearest integer.
- 01Thermodynamic Stability15%Convex-hull plausibility and formation enthalpy at the target pressure.70
- 02Phonon Stability15%Estimated absence of imaginary modes across the Brillouin zone.65
- 03EPC Potential20%Plausibility of strong electron-phonon coupling from hydrogen modes.75
- 04DOS / Fermi-Level Relevance10%Estimated weight of hydrogen-derived states at the Fermi level.60
- 05Pressure Feasibility15%How accessible the target pressure is for synthesis and measurement.55
- 06Synthesis Feasibility10%Practical feasibility of the proposed synthesis pathway.50
- 07Novelty5%Distance from already-screened hydride candidates in the literature.70
- 08Validation Readiness10%Maturity of the workflow needed to take the candidate to validation.65
Adjust
Interactive scoring panel
Move sliders to interrogate the scoring surface. Optional: load subscores derived from an existing candidate's headline X-Score.
Thermodynamic Stability
Weight 15%
Phonon Stability
Weight 15%
EPC Potential
Weight 20%
DOS / Fermi-Level Relevance
Weight 10%
Pressure Feasibility
Weight 15%
Synthesis Feasibility
Weight 10%
Novelty
Weight 5%
Validation Readiness
Weight 10%
Result
Aggregate
Recommended next gate
Experimental validation planning
Risks
Risk flag panel
Conservative, threshold-based advisories. Flags are not scientific validation.
- 01No high-severity risk flags raised.
Validation required
AI-generated research candidates are exploratory hypotheses and require DFT, DFPT, EPW, Eliashberg, RPA, and experimental validation before scientific claims can be made.