FePbI5
Alexandria ALEXAlex-ID: agm005740643 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_258_spg15
Fe2PbI8 PbI2
2023-07-17 11:58:22.069025
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005740643).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm005740643
data_agm005740643
_cell_length_a 8.24251
_cell_length_b 8.24556
_cell_length_c 11.79532
_cell_angle_alpha 111.29846
_cell_angle_beta 111.29609
_cell_angle_gamma 86.56428
_cell_volume 693.50740
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Fe1 Fe 0.90091 0.59926 0.25005 1.00000
Fe2 Fe 0.09909 0.40074 0.74995 1.00000
Pb1 Pb 0.50000 0.00000 0.00000 1.00000
Pb2 Pb 0.50000 0.00000 0.50000 1.00000
I1 I 0.75158 0.68838 0.05228 1.00000
I2 I 0.23421 0.64255 0.32630 1.00000
I3 I 0.39841 0.10151 0.24998 1.00000
I4 I 0.81205 0.74885 0.44793 1.00000
I5 I 0.18795 0.25115 0.55207 1.00000
I6 I 0.85726 0.26611 0.17371 1.00000
I7 I 0.14274 0.73389 0.82629 1.00000
I8 I 0.60159 0.89849 0.75002 1.00000
I9 I 0.76579 0.35745 0.67370 1.00000
I10 I 0.24842 0.31162 0.94772 1.00000
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