Ag4H2Cl5
Alexandria ALEXAlex-ID: agm005676767 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_815_spg2
HCl Ag AgCl
2023-06-21 15:56:19.002063
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005676767).
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 agm005676767
data_agm005676767
_cell_length_a 4.36561
_cell_length_b 6.65198
_cell_length_c 9.55072
_cell_angle_alpha 105.29347
_cell_angle_beta 105.31584
_cell_angle_gamma 95.80936
_cell_volume 253.63886
_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 0.33818 0.16539 0.66327 1.00000
Ag2 Ag 0.92444 0.78333 0.07625 1.00000
Ag3 Ag 0.66182 0.83461 0.33673 1.00000
Ag4 Ag 0.07556 0.21667 0.92375 1.00000
H1 H 0.98891 0.53584 0.53540 1.00000
H2 H 0.01109 0.46416 0.46460 1.00000
Cl1 Cl 0.75971 0.48446 0.81900 1.00000
Cl2 Cl 0.24029 0.51554 0.18100 1.00000
Cl3 Cl 0.82577 0.93419 0.64743 1.00000
Cl4 Cl 0.50000 0.00000 0.00000 1.00000
Cl5 Cl 0.17423 0.06581 0.35257 1.00000
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