Fapbi3 Cif File !!better!! (iOS)
To get a high-quality CIF file for Formamidinium Lead Iodide (FAPbI3), the most reliable method is to pull from established crystallographic databases or community-shared repositories. Top Sources for FAPbI3 CIF Files
Atomic coordinates (x, y, z positions for Formamidinium, Lead, and Iodide). Occupancy and thermal parameters.
Sample Snippet (Simplified Cubic α-FAPbI₃):
data_FAPbI3_alpha
_symmetry_space_group_name_H-M 'P m -3 m'
_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
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Pb Pb 0.00000 0.00000 0.00000
I I 0.00000 0.50000 0.50000
C C 0.50000 0.50000 0.50000
N N 0.34200 0.50000 0.50000
N N 0.65800 0.50000 0.50000
H H 0.44000 0.50000 0.50000
... (remaining hydrogen atoms)
A Crystallographic Information Framework (CIF) file for FAPbI₃ (Formamidinium Lead Iodide) contains the essential structural data—such as lattice parameters, space groups, and atomic coordinates—needed to model this solar cell material in software like VESTA or Materials Project. Key Phases and Their Structural Parameters
The complexity of the FAPbI₃ CIF file lies in its polymorphism. Depending on temperature and synthesis conditions, the material can exist in several phases:
To get a high-quality CIF file for Formamidinium Lead Iodide (FAPbI3), the most reliable method is to pull from established crystallographic databases or community-shared repositories. Top Sources for FAPbI3 CIF Files
Atomic coordinates (x, y, z positions for Formamidinium, Lead, and Iodide). Occupancy and thermal parameters.
Sample Snippet (Simplified Cubic α-FAPbI₃):
data_FAPbI3_alpha
_symmetry_space_group_name_H-M 'P m -3 m'
_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
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Pb Pb 0.00000 0.00000 0.00000
I I 0.00000 0.50000 0.50000
C C 0.50000 0.50000 0.50000
N N 0.34200 0.50000 0.50000
N N 0.65800 0.50000 0.50000
H H 0.44000 0.50000 0.50000
... (remaining hydrogen atoms)
A Crystallographic Information Framework (CIF) file for FAPbI₃ (Formamidinium Lead Iodide) contains the essential structural data—such as lattice parameters, space groups, and atomic coordinates—needed to model this solar cell material in software like VESTA or Materials Project. Key Phases and Their Structural Parameters
The complexity of the FAPbI₃ CIF file lies in its polymorphism. Depending on temperature and synthesis conditions, the material can exist in several phases:
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