RhS4F
Alexandria ALEXAlex-ID: agm005923908 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_707_spg2
SF Rh3S8 S5F
2023-07-28 10:07:22.441849
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005923908).
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 agm005923908
data_agm005923908
_cell_length_a 6.77784
_cell_length_b 7.19263
_cell_length_c 6.95928
_cell_angle_alpha 119.52032
_cell_angle_beta 103.91954
_cell_angle_gamma 96.37979
_cell_volume 275.76016
_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
Rh1 Rh 0.77603 0.04521 0.99744 1.00000
Rh2 Rh 0.22394 0.95479 0.00256 1.00000
S1 S 0.13061 0.30429 0.18670 1.00000
S2 S 0.98655 0.89543 0.18764 1.00000
S3 S 0.41512 0.92828 0.74290 1.00000
S4 S 0.58485 0.07172 0.25710 1.00000
S5 S 0.86936 0.69571 0.81330 1.00000
S6 S 0.57267 0.24514 0.88885 1.00000
S7 S 0.42730 0.75486 0.11115 1.00000
S8 S 0.01343 0.10457 0.81237 1.00000
F1 F 0.21924 0.39238 0.49698 1.00000
F2 F 0.78073 0.60762 0.50302 1.00000
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