CIF (Crystallographic Information Framework) file is the digital DNA of one of the most exciting materials in modern science: Formamidinium Lead Iodide
Identifies the symmetry (e.g.,
(Formamidinium Lead Iodide) in its most common high-temperature (Cubic,
An excellent tool developed by the CCDC for visualizing crystal packing and calculating powder XRD patterns directly from the CIF.
It wasn't just any file. It was the computational key to the next generation of perovskite solar cells—a crystalline lattice of formamidinium lead iodide. Her team had spent months refining the structure, fighting against phase instability, tweaking the atomic coordinates in the CIF (Crystallographic Information File) until the simulation predicted a near-perfect bandgap. fapbi3 cif file
(Note: This is a simplified, idealized cubic structure representation. Real CIF files often include disordered FA positions or lowered symmetry due to distortion.) 4. Where to Download FAPbI3 CIF Files
Below is a simplified, representative CIF for cubic FAPbI₃ (experimental data may vary slightly depending on temperature and synthesis):
: An open-access collection of crystal structures. The Materials Project : Excellent for DFT-relaxed FAPbI3FAPbI sub 3 structures.
The fractional coordinates of the Lead ( ), Iodine ( ), Carbon ( ), and Nitrogen ( The Formamidinium Disorder Challenge Because the formamidinium ( Her team had spent months refining the structure,
CIF file contains the exact spatial coordinates, lattice parameters, and symmetry operations that define the material's atomic structure.
The is a commercial, high-precision database produced by FIZ Karlsruhe. It is often considered the "gold standard" for inorganic structures.
The high-temperature, photoactive cubic phase is the target for solar cells. The structure is characterized by PbI6PbI sub 6 octahedra forming a framework with the cation residing in the cage.
At its core, FAPbI₃ (formamidinium lead iodide) is a metal halide perovskite with the chemical formula CH(NH₂)₂PbI₃ and a CAS number of . It has become a top contender in photovoltaics because its bandgap (around 1.4–1.5 eV) is nearly ideal for capturing sunlight, offering a theoretical maximum efficiency for single-junction solar cells. Where to Download FAPbI3 CIF Files Below is
Do you need assistance with or lattice constants ? AI responses may include mistakes. Learn more Share public link
The FAPbI₃ CIF file is more than just a data snippet; it is the structural foundation for the next generation of solar energy. Whether you are stabilizing the α-phase through cation engineering or simulating interface layers, having an accurate CIF file is your first step toward success.
This is the required for high-efficiency solar cells. In its ideal state at higher temperatures, FAPbI crystallizes in a cubic perovskite structure (Space Group