Ag4Pb8I
Alexandria ALEXAlex-ID: agm097642902 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1396_spg1
PbI2 Ag Pb
2025-06-20 14:35:12
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097642902).
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 agm097642902
data_agm097642902
_cell_length_a 4.49746
_cell_length_b 10.80318
_cell_length_c 9.09809
_cell_angle_alpha 58.57337
_cell_angle_beta 89.95646
_cell_angle_gamma 90.08183
_cell_volume 377.20184
_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
Ag1 Ag 0.77092 0.09326 0.99822 1.00000
Ag2 Ag 0.77039 0.43702 0.04417 1.00000
Ag3 Ag 0.26905 0.55536 0.48842 1.00000
Ag4 Ag 0.26991 0.90949 0.54774 1.00000
Pb1 Pb 0.77083 0.09932 0.31747 1.00000
Pb2 Pb 0.76969 0.64817 0.21287 1.00000
Pb3 Pb 0.76978 0.66657 0.62361 1.00000
Pb4 Pb 0.76859 0.33738 0.61135 1.00000
Pb5 Pb 0.27051 0.89039 0.23501 1.00000
Pb6 Pb 0.27034 0.35254 0.31647 1.00000
Pb7 Pb 0.27054 0.33435 0.90484 1.00000
Pb8 Pb 0.27108 0.65490 0.92015 1.00000
I1 I 0.25838 0.02125 0.77969 1.00000
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