Vacancy-Ordered Quadruple Halide Perovskites: All-Inorganic Noble-Metal Semiconductors wit

Alaelddin Michailidis Barakat published a dataset on figshare in April 2026 describing a unique family of inorganic halide perovskites. The dataset details compounds with the formula A₄Au₂Pd□X₁₂ (A = Cs, Rb; X = Cl, Br, I), which are black in color and have experimentally determined bandgaps in the 0.8–1.55 eV range. The data includes information on synthesis, crystal structure, and properties relevant for photovoltaic and infrared electronic applications.

Use Cases

• Training machine learning models for predicting bandgap properties based on halide composition.
• Analyzing crystal structure-property relationships in vacancy-ordered perovskite derivatives.
• Benchmarking density functional theory (DFT) calculations against experimental XPS and absorption data.

Strengths

• Dataset includes specific experimental bandgap values in the 0.8–1.55 eV range.
• Compounds are described as stable against air and water, a key advantage over typical perovskites.
• The synthesis method ('stick & square' approach) and general formula A₄Au₂Pd□X₁₂ are clearly defined.

Limitations

• Column-level documentation is absent; field semantics must be inferred after download.
• Row count is unknown, which may limit suitability assessment.
• The dataset is very small at 7.1 KB, indicating limited scope.

Provenance

Source

figshare

Collection Method

Synthesized compounds characterized via X-ray photoelectron spectroscopy (XPS) and density functional theory (DFT) calculations.

Time Range

Publication date is 2026-04-27.

Freshness

Last updated 2026-04-27 17:35:26; freshness should be verified.

Geography

Spatial coverage is not specified.