Task stringlengths 18 35 | Goal stringlengths 44 155 | Properties stringlengths 26 69 |
|---|---|---|
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 | Density, Bulk modulus, Shear modulus |
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, Band gap ≥ 2.0 eV, Must contain Li/Na/K/Mg/Ca/Al | Formation energy, Band gap |
Stable Wide-Bandgap Semiconductors | Band gap ≥ 2.5 eV, Formation energy ≤ -1.0 eV/atom | Band gap, Formation energy |
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 |
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) |
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