Uncertainty-Aware Dimensionality Prediction of Low-Dimensional Hybrid Metal Halides by Integrating Bayesian Modeling and Experiments

This dataset is sourced from Hybrid3 (https://hybrid3.duke.edu/) published literatures and crystals synthesized in the lab. It compiles both the dimensionality of hybrid metal halides and the molecular characteristics of spacer cations. Dimensionality labels and chemical names are taken from Hybrid3 literatures and our experimentally synthesized crystals. We further enriched the dataset by adding detailed molecular information for each spacer cation. These additions allow a more comprehensive analysis of how spacer cation chemistry relates to structural dimensionality.