| Task,Goal,Properties | |
| "Hard, Stiff Ceramics","Bulk modulus 100–300 GPa, Shear modulus 60–200 GPa","Bulk modulus, Shear modulus" | |
| "Hard Coating Materials","Bulk modulus ≥ 200 GPa, Formation energy ≤ -1.0 eV/atom, Band gap ≥ 3.0 eV","Bulk modulus, Formation energy, Band gap" | |
| "Structural Materials for Aerospace","Density ≤ 5.0 g/cm³, Bulk modulus ≥ 100 GPa, Shear modulus ≥ 40 GPa, Energy above hull ≤ 5.0 eV/atom","Density, Bulk modulus, Shear modulus, Energy above hull" | |
| "High-k Dielectrics","Dielectric constant 10–90, Band gap 2.5–6.5 eV","Dielectric constant, Band gap" | |
| "SAW/BAW Acoustic Substrates","Shear modulus 25–150 GPa, Dielectric constant 3.7–95","Shear modulus, Dielectric constant" | |
| "Solid-State Electrolytes","Formation energy ≤ -1.0 eV/atom, Energy above hull ≤ 5.0 eV/atom, Band gap ≥ 2.0 eV, Must contain Li/Na/K/Mg/Ca/Al","Formation energy, Energy above hull, Band gap" | |
| "Stable Wide-Bandgap Semiconductors","Band gap ≥ 2.5 eV, Formation energy ≤ -1.0 eV/atom, Energy above hull ≤ 5.0 eV/atom","Band gap, Formation energy, Energy above hull" | |
| "Photovoltaic Absorbers","Band gap 0.7–2.0 eV, Formation energy ≤ 0.0 eV/atom, Earth-abundant and non-toxic elements only","Band gap, Formation energy" | |
| "Piezo Energy Harvesters","piezo_max_dij ≥ 8 pC/N and 10 ≤ piezo_max_dielectric ≤ 8000; if ranking, use FoM d²/κ (higher is better)","d proxy (piezo_max_dij), Dielectric constant κ (piezo_max_dielectric)" | |
| "Acousto-optic Hybrids","3 ≤ piezo_max_dij ≤ 9 pC/N and 8 ≤ piezo_max_dielectric ≤ 85; tight κ band to reduce dielectric loading; rank by proximity to target d-band and mid-range κ","d proxy (piezo_max_dij), Dielectric constant κ (piezo_max_dielectric)" | |
| "Electrically Insulating Dielectrics","Band gap ≥ 2.5 eV, Dielectric constant ≥ 8.0","Band gap, Dielectric constant, Energy above hull" | |
| "Transparent Conductors","band_gap > 3.0 eV and 50 ≤ conductivity ≤ 5000 S/cm; must be thermodynamically stable; if ranking, use FoM σ·T² balancing transparency vs conductivity","Optical band gap (band_gap), Electrical conductivity (conductivity)" | |
| "Low-Density Structural (Aerospace)","density ≤ 3.5 g/cm³ and 65 GPa ≤ shear_modulus ≤ 195 GPa; maximize G/ρ for stiffness-to-weight; discard unstable or high-creep phases","Density (density), Shear modulus (shear_modulus)" | |
| "Toxic_Free_Perovskite_Oxide","2.0 eV ≤ Band gap and 90 GPa ≤ Bulk modulus ≤ 135 GPa; exclude Pb, Cd, Hg, Tl, Be, As, Sb, Se, U, Th; prefer thermodynamically stable ABO₃ oxides","Band gap (band_gap), Bulk modulus (bulk_modulus)" |