DFT Files of B-RuO2: VASP Input/Output Data

A 64.5 KB collection of Density Functional Theory (DFT) files for the B-RuO2 material, published on figshare by Zhongliang Liu. The dataset was last updated on 2026-05-22 and is licensed under CC-BY-4.0. The specific computational parameters and results are contained within the VASP format files.

Use Cases

• Reproducing or validating DFT calculations for B-RuO2 structures (inferred from domain, verify after download)
• Training machine learning potentials for ruthenium-based materials (inferred from domain, verify after download)
• Benchmarking computational chemistry software performance (inferred from domain, verify after download)

Strengths

• Published on the figshare platform with a clear CC-BY-4.0 license.
• Authored by a named individual, Zhongliang Liu.
• Last update timestamp is explicitly provided: 2026-05-22 01:22:35.

Limitations

• Metadata is minimal; actual content requires verification after download.
• Row count and column definitions are unknown, limiting suitability assessment.
• The dataset is very small (64.5 KB), indicating a limited scope.

Provenance

Source

Zhongliang Liu via figshare

Collection Method

Likely generated through computational chemistry simulations.

Time Range

null

Freshness

Last updated 2026-05-22 01:22:35.

Geography

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