Reaction database · Released 2025
Cu–Pt–Sn–Zn HEA (111) catalysts for CO₂RR to HCOOH
Reaction-specific adsorption and catalyst-screening records for formic-acid pathways.●Members onlySign in ↗
Research infrastructure
Thailand Public Energy
Materials Database 2.0
Research scale100,000+
machine-learning catalyst evaluations across HCU screening studies
21,563 curated records in the current searchable collection, constructed through quantum-chemical calculations and machine-learning techniques.
Access policyPublic documentation and examples are open. Complete searching and downloads require a free TPEM Research Pass.Create or use a Research Pass →
- 21,563
- Current curated records
- 9,139
- Bulk HEA compositions
- 12,424
- Adsorption records
- 1,429
- Reference DFT calculations
Dataset catalogue
Six connected collections
Surface database · Released 2024
Cu–Zn–Pd–Ag–Au HEA (111) surfaces
Multicomponent surface structures and calculated properties for catalyst discovery.●Members onlySign in ↗
Adsorption database · Released 2024
*H adsorption on PtPd-based high-entropy alloys
Hydrogen adsorption data supporting hydrogen-evolution catalyst design.●Members onlySign in ↗
Reaction database · Released 2023
Cu–Mn–Ni–Zn surfaces for CO₂RR to CH₄ and CH₃OH
11,920 adsorption-energy records across eight adsorbates, with DFT reference matching and source-review flags.●Open explorerSearch dataset ↗
Adsorption database · Released 2022
H₂O adsorption on PtPd-based high-entropy alloys
504 DFT-calculated and GPR-predicted water-adsorption sites across 56 FCC (111) surfaces.●Open explorerSearch dataset ↗
Structure database · Released 2022
9,139 PtPd-based high-entropy-alloy bulk structures
The founding TPEM collection of KKR-CPA/DFT calculations and ANN-predicted FCC and BCC structures.●Open explorerSearch dataset ↗