Materials Project: 133,420 Materials with Formation Energy per Atom

133,420 materials entries processed from the 2019 dump of the Materials Project database. The dataset includes formation energy per atom, material formula, and the number of atoms per structure. It was uploaded to Hugging Face by the 'materials-toolkits' account in February 2024.

Use Cases

• Predict material stability based on formation energy per atom.
• Screen candidate materials for specific applications using chemical formulas.
• Train machine learning models to estimate properties from crystal structure data.

Strengths

• Contains 133,420 distinct material entries.
• Includes a key thermodynamic property: formation energy per atom.
• Processed from a known computational materials database, the Materials Project.

Limitations

• Column-level documentation is absent; field semantics must be inferred after download.
• Row count is unknown, which may limit suitability assessment.
• Last updated 2024-02-07 11:26:10; freshness should be verified.

Provenance

Source

Materials Project database (mp.2019.04.01.json).

Collection Method

Processed from a 2019 data dump.

Time Range

Data snapshot from 2019.

Freshness

Last updated 2024-02-07 11:26:10.