RbSCl3
Alexandria ALEXAlex-ID: agm005755928 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_8843_spg2
Rb2SCl6 SCl RbCl
2023-07-06 02:28:14.676041
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005755928).
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 agm005755928
data_agm005755928
_cell_length_a 9.82490
_cell_length_b 8.66165
_cell_length_c 8.79149
_cell_angle_alpha 56.13199
_cell_angle_beta 65.61222
_cell_angle_gamma 111.67213
_cell_volume 344.97070
_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 0.81581 0.31910 0.39397 1.00000
Rb2 Rb 0.28750 0.20700 0.06926 1.00000
S1 S 0.28036 0.29070 0.47409 1.00000
S2 S 0.82280 0.23525 0.98940 1.00000
Cl1 Cl 0.31421 0.56582 0.12756 1.00000
Cl2 Cl 0.17603 0.64822 0.65867 1.00000
Cl3 Cl 0.31068 0.08670 0.75929 1.00000
Cl4 Cl 0.79266 0.43921 0.70416 1.00000
Cl5 Cl 0.78893 0.96001 0.33612 1.00000
Cl6 Cl 0.92705 0.87778 0.80510 1.00000
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