Fapbi3 Cif File [work] May 2026

Formamidinium lead iodide ( FAPbI3FAPbI sub 3 ) is a cornerstone of modern perovskite photovoltaics, primarily due to its narrow bandgap (

Why the confusion? In academic shorthand, Formamidinium is often abbreviated as FA. However, in standard database queries, one must often search for the full chemical name or formula ($\textHC(NH_2)_2\textPbI_3$). Searching for "fapbi3" in a database might yield zero results because the database does not recognize "fapbi" as a valid token, whereas "FAPbI3" (with correct capitalization) or "Formamidinium lead iodide" would. fapbi3 cif file

Phase Note: If your sample is yellow rather than black, you are likely looking for the Delta ( ) phase (Hexagonal, P63mccap P 6 sub 3 m c ), which is photo-inactive. Formamidinium lead iodide ( FAPbI3FAPbI sub 3 )

Decoding FAPbI₃: A Deep Dive into the CIF File of the Leading Perovskite Solar Cell Material

Introduction

In the rapidly evolving field of photovoltaics, Formamidinium Lead Iodide (FAPbI₃) has emerged as the gold standard light-absorbing layer for high-efficiency perovskite solar cells (PSCs), boasting certified power conversion efficiencies exceeding 26%. URL: perovskite

This article provides a comprehensive overview of what the FAPbI₃ CIF file contains, where to find it, how to validate it, and how to use it in common software like VESTA, Quantum ESPRESSO, and VASP.

3. NREL’s Perovskite Database

• URL: perovskite.nrel.gov
• Use: Excellent for experimental lattice parameters extracted from literature.