H2AuCl6
Alexandria ALEXAlex-ID: agm005708103 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_2628_spg15
HCl5 AuCl3 HCl
2023-07-13 01:45:08.302558
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005708103).
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 agm005708103
data_agm005708103
_cell_length_a 4.85084
_cell_length_b 12.00725
_cell_length_c 12.00725
_cell_angle_alpha 110.76162
_cell_angle_beta 72.40515
_cell_angle_gamma 72.40516
_cell_volume 553.69730
_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
H1 H 0.90681 0.72718 0.98103 1.00000
H2 H 0.59319 0.01897 0.27282 1.00000
H3 H 0.09319 0.27282 0.01897 1.00000
H4 H 0.40681 0.98103 0.72718 1.00000
Au1 Au 0.25000 0.29210 0.70790 1.00000
Au2 Au 0.75000 0.70790 0.29210 1.00000
Cl1 Cl 0.30401 0.89708 0.74620 1.00000
Cl2 Cl 0.19599 0.25380 0.10292 1.00000
Cl3 Cl 0.69599 0.10292 0.25380 1.00000
Cl4 Cl 0.80401 0.74620 0.89708 1.00000
Cl5 Cl 0.15172 0.54056 0.29002 1.00000
Cl6 Cl 0.34828 0.70998 0.45944 1.00000
Cl7 Cl 0.84828 0.45944 0.70998 1.00000
Cl8 Cl 0.65172 0.29002 0.54056 1.00000
Cl9 Cl 0.13566 0.68821 0.10839 1.00000
Cl10 Cl 0.36434 0.89161 0.31179 1.00000
Cl11 Cl 0.86434 0.31179 0.89161 1.00000
Cl12 Cl 0.63566 0.10839 0.68821 1.00000
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