AgH2PbCl8
Alexandria ALEXAlex-ID: agm004912876 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_612_spg2
AgCl3 HCl5 HCl PbCl2
2023-03-28 15:33:05.704356
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004912876).
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 agm004912876
data_agm004912876
_cell_length_a 7.34945
_cell_length_b 6.79823
_cell_length_c 7.49761
_cell_angle_alpha 88.24334
_cell_angle_beta 87.07126
_cell_angle_gamma 86.06710
_cell_volume 373.09577
_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 0.00000 0.00000 0.50000 1.00000
H1 H 0.31535 0.25655 0.67654 1.00000
H2 H 0.68465 0.74345 0.32346 1.00000
Pb1 Pb 0.00000 0.00000 0.00000 1.00000
Cl1 Cl 0.15741 0.79438 0.26013 1.00000
Cl2 Cl 0.73738 0.78328 0.02436 1.00000
Cl3 Cl 0.85182 0.21281 0.26382 1.00000
Cl4 Cl 0.84259 0.20562 0.73987 1.00000
Cl5 Cl 0.26262 0.21672 0.97564 1.00000
Cl6 Cl 0.14818 0.78719 0.73618 1.00000
Cl7 Cl 0.67283 0.72948 0.49782 1.00000
Cl8 Cl 0.32717 0.27052 0.50218 1.00000
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