File — Fapbi3 Cif

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.

loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' ... (additional symmetry operators for cubic) fapbi3 cif file

The _atom_site_B_iso_or_equiv values (in Ų) indicate atomic vibration: This is the "black phase" desired for solar cells

data_FAPbI3_Cubic _audit_creation_method 'Rietveld Refinement' _chemical_name_common 'Formamidinium Lead Iodide' _cell_length_a 6.359 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _symmetry_space_group_name_H-M 'P m -3 m' _symmetry_Int_Tables_number 221 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

Before reading the CIF, you must identify which phase you are analyzing.