ReAg2PbCl8
Alexandria ALEXAlex-ID: agm059107635 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_290_spg2
AgCl ReAg3Cl8 ReCl3 PbCl2
2025-02-02 00:04:54
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm059107635).
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 agm059107635
data_agm059107635
_cell_length_a 6.60213
_cell_length_b 6.88250
_cell_length_c 8.27731
_cell_angle_alpha 108.93355
_cell_angle_beta 87.48017
_cell_angle_gamma 100.86697
_cell_volume 349.32516
_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
Re1 Re 0.00000 0.00000 0.00000 1.00000
Ag1 Ag 0.47804 0.67685 0.71072 1.00000
Ag2 Ag 0.52196 0.32315 0.28928 1.00000
Pb1 Pb 0.00000 0.00000 0.50000 1.00000
Cl1 Cl 0.91525 0.23763 0.26750 1.00000
Cl2 Cl 0.32808 0.21276 0.00801 1.00000
Cl3 Cl 0.13409 0.80770 0.14870 1.00000
Cl4 Cl 0.08475 0.76237 0.73250 1.00000
Cl5 Cl 0.67192 0.78724 0.99199 1.00000
Cl6 Cl 0.86591 0.19230 0.85130 1.00000
Cl7 Cl 0.39631 0.26301 0.57038 1.00000
Cl8 Cl 0.60369 0.73699 0.42962 1.00000
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