Dataset for "Positron Annihilation Lifetime Spectroscopy of Single Crystalline CH3NH3PbBr3: Experiments and Ab-Initio Calculations"

The dataset comprises a symmetrical geometry 2θ-ω scan performed in triple-crystal mode showing (h00) peaks with h from 1 to 6, and reciprocal space maps (RSMs) around the (400), (420), and (422) peaks, on a single-crystalline sample of methylammonium lead bromide, “MAPbBr3” (CH3NH3PbBr3). The positron dataset was added in July 2025.本数据集包含采用三晶模式采集的对称几何构型2θ-ω扫描数据，该扫描得到了h取值范围为1至6的(h00)衍射峰，以及围绕(400)、(420)与(422)衍射峰的倒易空间图（reciprocal space maps, RSMs），测试样品为甲胺铅溴（MAPbBr3，CH3NH3PbBr3）单晶。该正电子数据集于2025年7月新增。