Rb(S3Cl)2
Alexandria ALEXAlex-ID: agm005665649 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_3228_spg2
RbS13 SCl RbCl
2023-07-09 17:02:05.121929
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005665649).
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 agm005665649
data_agm005665649
_cell_length_a 10.84429
_cell_length_b 5.10833
_cell_length_c 5.79126
_cell_angle_alpha 117.23099
_cell_angle_beta 81.57419
_cell_angle_gamma 102.01043
_cell_volume 278.52751
_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 0.00000 0.00000 0.00000 1.00000
S1 S 0.60163 0.84349 0.25995 1.00000
S2 S 0.73762 0.79866 0.44835 1.00000
S3 S 0.57297 0.42308 0.22050 1.00000
S4 S 0.39837 0.15651 0.74005 1.00000
S5 S 0.26238 0.20134 0.55165 1.00000
S6 S 0.42703 0.57692 0.77950 1.00000
Cl1 Cl 0.12678 0.73113 0.36224 1.00000
Cl2 Cl 0.87322 0.26887 0.63776 1.00000
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