AuCl3
Alexandria ALEXAlex-ID: agm010201014 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3_1953_spg63
AuCl3
2024-05-09 18:53:24.456701
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010201014).
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
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# CIF generated by HEAS from Alexandria entry agm010201014
data_agm010201014
_cell_length_a 4.80089
_cell_length_b 10.52754
_cell_length_c 9.60129
_cell_angle_alpha 118.13909
_cell_angle_beta 94.55904
_cell_angle_gamma 114.59948
_cell_volume 365.32724
_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
Au1 Au 0.34478 0.80361 0.40595 1.00000
Au2 Au 0.40524 0.19645 0.59408 1.00000
Cl1 Cl 0.19028 0.60336 0.46396 1.00000
Cl2 Cl 0.24341 0.97685 0.64208 1.00000
Cl3 Cl 0.27938 0.34557 0.81558 1.00000
Cl4 Cl 0.55978 0.39658 0.53590 1.00000
Cl5 Cl 0.47053 0.65435 0.18450 1.00000
Cl6 Cl 0.50660 0.02323 0.35796 1.00000
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