Ag4Au2Cl9
Alexandria ALEXAlex-ID: agm005644066 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C9_115_spg2
AgAuCl4 AgAu6 AgCl
2023-06-15 16:12:59.721570
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005644066).
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 agm005644066
data_agm005644066
_cell_length_a 6.57085
_cell_length_b 7.45120
_cell_length_c 20.31429
_cell_angle_alpha 106.52950
_cell_angle_beta 88.69017
_cell_angle_gamma 61.08881
_cell_volume 819.27520
_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 0.34551 0.35956 0.99850 1.00000
Ag2 Ag 0.36907 0.37571 0.49323 1.00000
Ag3 Ag 0.65449 0.64044 0.00150 1.00000
Ag4 Ag 0.48412 0.20097 0.23635 1.00000
Ag5 Ag 0.63093 0.62429 0.50677 1.00000
Ag6 Ag 0.70232 0.70821 0.27017 1.00000
Ag7 Ag 0.29768 0.29179 0.72983 1.00000
Ag8 Ag 0.51588 0.79903 0.76365 1.00000
Au1 Au 0.06638 0.93448 0.39016 1.00000
Au2 Au 0.90068 0.12122 0.07073 1.00000
Au3 Au 0.93362 0.06552 0.60984 1.00000
Au4 Au 0.09932 0.87878 0.92927 1.00000
Cl1 Cl 0.90533 0.38838 0.69132 1.00000
Cl2 Cl 0.26488 0.66992 0.80070 1.00000
Cl3 Cl 0.68359 0.00835 0.74364 1.00000
Cl4 Cl 0.09467 0.61162 0.30868 1.00000
Cl5 Cl 0.73512 0.33008 0.19930 1.00000
Cl6 Cl 0.31641 0.99165 0.25636 1.00000
Cl7 Cl 0.66772 0.14286 0.37788 1.00000
Cl8 Cl 0.03246 0.25503 0.47421 1.00000
Cl9 Cl 0.47193 0.72182 0.39892 1.00000
Cl10 Cl 0.68340 0.95366 0.08340 1.00000
Cl11 Cl 0.34355 0.67439 0.08567 1.00000
Cl12 Cl 0.05109 0.35527 0.08023 1.00000
Cl13 Cl 0.33228 0.85714 0.62212 1.00000
Cl14 Cl 0.96754 0.74497 0.52579 1.00000
Cl15 Cl 0.52807 0.27818 0.60108 1.00000
Cl16 Cl 0.31660 0.04634 0.91660 1.00000
Cl17 Cl 0.65645 0.32561 0.91433 1.00000
Cl18 Cl 0.94891 0.64473 0.91977 1.00000
