RbS14I
Alexandria ALEXAlex-ID: agm005755957 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_131_spg74
RbS6I RbS13 S8I
2023-07-23 20:37:45.589675
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005755957).
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 agm005755957
data_agm005755957
_cell_length_a 12.62504
_cell_length_b 12.62504
_cell_length_c 12.62504
_cell_angle_alpha 144.89496
_cell_angle_beta 118.11859
_cell_angle_gamma 73.17812
_cell_volume 1002.14308
_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 0.50000 0.00000 1.00000
Rb2 Rb 0.00000 0.00000 0.50000 1.00000
S1 S 0.69443 0.79666 0.89778 1.00000
S2 S 0.30557 0.20334 0.10222 1.00000
S3 S 0.39888 0.29666 0.10222 1.00000
S4 S 0.60112 0.70334 0.89778 1.00000
S5 S 0.91024 0.33830 0.57194 1.00000
S6 S 0.08976 0.66170 0.42806 1.00000
S7 S 0.26636 0.83830 0.42806 1.00000
S8 S 0.73364 0.16170 0.57194 1.00000
S9 S 0.27187 0.36094 0.91093 1.00000
S10 S 0.72813 0.63906 0.08907 1.00000
S11 S 0.95001 0.86094 0.08907 1.00000
S12 S 0.04999 0.13906 0.91093 1.00000
S13 S 0.73585 0.09851 0.97618 1.00000
S14 S 0.26415 0.24032 0.36266 1.00000
S15 S 0.62233 0.59851 0.36266 1.00000
S16 S 0.37767 0.74032 0.97618 1.00000
S17 S 0.26415 0.90149 0.02382 1.00000
S18 S 0.73585 0.75968 0.63734 1.00000
S19 S 0.37767 0.40149 0.63734 1.00000
S20 S 0.62233 0.25968 0.02382 1.00000
S21 S 0.31627 0.67670 0.19893 1.00000
S22 S 0.68373 0.88266 0.36043 1.00000
S23 S 0.97777 0.17670 0.36043 1.00000
S24 S 0.02223 0.38266 0.19893 1.00000
S25 S 0.68373 0.32330 0.80107 1.00000
S26 S 0.31627 0.11734 0.63957 1.00000
S27 S 0.02223 0.82330 0.63957 1.00000
S28 S 0.97777 0.61734 0.80107 1.00000
I1 I 0.62472 0.25000 0.37472 1.00000
I2 I 0.37528 0.75000 0.62528 1.00000
