-phase (yellow, hexagonal). Understanding this transition starts with the crystal structure. What is a CIF File?
This is the "black phase" desired for solar cells. It features a high-symmetry corner-sharing PbI6cap P b cap I sub 6 octahedral network with the FA⁺ cation in the center. fapbi3 cif file
Used for simulating light absorption, charge transport, and band structure. 2. The Delta Phase ( -FAPbI₃) Symmetry: Hexagonal ( P6₃mc ). -phase (yellow, hexagonal)
The "yellow phase." It consists of face-sharing octahedra, which traps charges and prevents efficient solar energy conversion. This is the "black phase" desired for solar cells
When searching for an , you are likely looking for one of two primary polymorphs: 1. The Alpha Phase ( -FAPbI₃) Symmetry: Cubic ( Pm3m ) or slightly distorted Tetragonal.
octahedra. Subtle changes in these angles—often induced by temperature or pressure—drastically affect the material's electronic properties. Where to Find FAPbI₃ CIF Files
Provides computed CIF files along with predicted electronic properties.