Fapbi3 Cif File -
CIF (Crystallographic Information Framework) file is the digital DNA of one of the most exciting materials in modern science: Formamidinium Lead Iodide
- $r_A$ (FA$^+$) $\approx$ 2.53 Å
- $r_B$ (Pb$^2+$) $\approx$ 1.19 Å
- $r_X$ (I$^-$) $\approx$ 2.20 Å
Unlike simple table salt, the Formamidinium ion in the center of the FAPbI fapbi3 cif file
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. $r_A$ (FA$^+$) $\approx$ 2
-phase, which features face-sharing octahedra and is unsuitable for solar applications due to its wide band gap (~ Key CIF Parameters for FAPbI3cap F cap A cap P b cap I sub 3 Standard CIF data for the cubic phase at approximately typically includes: Lattice Constant ( ): Roughly Cell Volume: ~ FA+cap F cap A raised to the positive power Cation Orientation: The organic FA+cap F cap A raised to the positive power Unlike simple table salt, the Formamidinium ion in
You can download verified CIF data from these primary databases: Short Guide to CIFs - CCDC
data_FAPbI3_cubic
_audit_creation_method 'generated by VESTA'
_cell_length_a 6.362
_cell_length_b 6.362
_cell_length_c 6.362
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_space_group_name_H-M_alt 'Pm-3m'
_space_group_IT_number 221