Crystal Structure Data for Sb-Doped NH4CsIn1.33Cl6 Perovskite

A 17.5 KB CIF file contains the crystal structure data for a lead-free perovskite single crystal. The dataset, authored by Tao Song and last updated in May 2026, supports research into high-performance, eco-friendly optoelectronic materials. The described crystal, NH4CsIn1.33Cl6 doped with Sb3+, achieved a photoluminescence quantum yield of 78.5%.

Use Cases

• Analyzing crystal structure-property relationships based on the A-site cation regulation strategy described.
• Modeling broadband emission mechanisms based on the described localized relaxed excited states of Sb3+ centers.
• Designing white-light-emitting diodes (WLEDs) based on the demonstrated luminescent properties of the doped crystal.

Strengths

• Specific photoluminescence quantum yield (PLQY) of 78.5% is reported.
• Crystal structure is provided in a standard CIF format, facilitating computational analysis.

Limitations

• Dataset size is only 17.5 KB, indicating a very limited scope focused on a single crystal structure.
• Column-level documentation is absent; field semantics must be inferred after download.
• Row count is unknown, which may limit suitability assessment.

Provenance

Source

figshare

Collection Method

Likely generated from experimental synthesis and characterization, as described in the accompanying research summary.

Freshness

Last updated 2026-05-14 21:43:31; freshness should be verified.