Thermodynamically stable at room temperature but photo-inactive, often appearing as a degradation product of the AIP Publishing Where to Find/Download CIF Files You can obtain verified cap F cap A cap P b cap I sub 3 CIF files from these research databases:
The best way to find a FAPbI₃ CIF is to search these databases using one of the following parameters:
What you plan to use (VESTA, VASP, Quantum Espresso, etc.) Which phase ( hexagonal) you need to model
A Crystallographic Information File (CIF) is a text file used to represent crystallographic data in a standardized format. CIF files are used to describe the crystal structure of materials, including their atomic coordinates, lattice parameters, and other relevant information. The CIF format was developed by the International Union of Crystallography (IUCr) to facilitate the exchange of crystallographic data between researchers and software packages. fapbi3 cif file
): This is the black, photoactive perovskite phase. It features a cubic structure (space group Pm3m ) at high temperatures. It can change to a tetragonal or orthorhombic structure as it cools down. Delta Phase ( FAPbI3FAPbI sub 3
This is the stable room-temperature phase, but it is not useful for solar cells. 3. Contents of a Sample FAPbI3 CIF File FAPbI3FAPbI sub 3
) is a cornerstone material in next-generation photovoltaics. To model, simulate, or analyze this perovskite material, researchers rely on Crystallographic Information Framework (CIF) files. A FAPbI3FAPbI sub 3 ): This is the black, photoactive perovskite phase
A CIF file is a standard text file format used to store crystallographic information. The FAPbI3FAPbI sub 3
is a premier material in next-generation optoelectronics, driving certified power conversion efficiencies (PCE) in perovskite solar cells beyond 26%. A deeper look into its performance requires a precise understanding of its atomic arrangement, which scientists catalog using a Crystallographic Information File (CIF) .
has emerged as a superior alternative to methylammonium lead iodide ( MAPbI3MAPbI sub 3 Delta Phase ( FAPbI3FAPbI sub 3 This is
Valid, peer-reviewed CIF files should be sourced from established crystallographic databases:
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