Rb(CuCl3)2
Alexandria ALEXAlex-ID: agm097996471 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_697_spg12
RbCl3 RbCuCl3 CuCl2
2025-04-06 22:17:07
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097996471).
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 agm097996471
data_agm097996471
_cell_length_a 5.18548
_cell_length_b 7.29649
_cell_length_c 8.61528
_cell_angle_alpha 86.74777
_cell_angle_beta 73.33188
_cell_angle_gamma 92.75240
_cell_volume 311.06192
_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
Rb1 Rb 0.97734 0.58620 0.30754 1.00000
Cu1 Cu 0.81812 0.79362 0.84649 1.00000
Cu2 Cu 0.05833 0.11605 0.64505 1.00000
Cl1 Cl 0.59773 0.61891 0.05654 1.00000
Cl2 Cl 0.35236 0.31565 0.48585 1.00000
Cl3 Cl 0.10483 0.03344 0.15188 1.00000
Cl4 Cl 0.14921 0.81108 0.61790 1.00000
Cl5 Cl 0.76239 0.14156 0.30069 1.00000
Cl6 Cl 0.67968 0.08349 0.83805 1.00000
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