Cs3AuCl2
Alexandria ALEXAlex-ID: agm044580253 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_23_spg12
CsAu CsCl
2024-11-01 16:47:52.754715
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044580253).
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 agm044580253
data_agm044580253
_cell_length_a 8.78986
_cell_length_b 8.78986
_cell_length_c 8.84588
_cell_angle_alpha 80.42904
_cell_angle_beta 80.42904
_cell_angle_gamma 119.99243
_cell_volume 558.24883
_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
Cs1 Cs 0.58839 0.91326 0.75975 1.00000
Cs2 Cs 0.76192 0.76192 0.24291 1.00000
Cs3 Cs 0.41161 0.08674 0.24025 1.00000
Cs4 Cs 0.91326 0.58839 0.75975 1.00000
Cs5 Cs 0.23808 0.23808 0.75709 1.00000
Cs6 Cs 0.08674 0.41161 0.24025 1.00000
Au1 Au 0.66646 0.33354 0.50000 1.00000
Au2 Au 0.33354 0.66646 0.50000 1.00000
Cl1 Cl 0.83213 0.16787 0.00000 1.00000
Cl2 Cl 0.16787 0.83213 0.00000 1.00000
Cl3 Cl 0.50000 0.50000 0.00000 1.00000
Cl4 Cl 0.00000 0.00000 0.50000 1.00000
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