Rb3US8
Alexandria ALEXAlex-ID: agm014957930 · Space group: I-42m (#121)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C8_96_spg8
RbS3 US3 Rb2US4
2024-12-06 09:15:35
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014957930).
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 agm014957930
data_agm014957930
_cell_length_a 7.91434
_cell_length_b 7.91434
_cell_length_c 7.90788
_cell_angle_alpha 66.31835
_cell_angle_beta 113.68165
_cell_angle_gamma 78.64958
_cell_volume 375.63437
_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 0.25098 0.24850 0.50032 1.00000
Rb2 Rb 0.75150 0.74902 0.50032 1.00000
Rb3 Rb 0.49841 0.50159 0.99964 1.00000
U1 U 0.99835 0.00165 0.99985 1.00000
S1 S 0.80524 0.75640 0.99992 1.00000
S2 S 0.24360 0.19476 0.99992 1.00000
S3 S 0.75298 0.24702 0.56109 1.00000
S4 S 0.19096 0.80904 0.43852 1.00000
S5 S 0.06950 0.65486 0.00059 1.00000
S6 S 0.34514 0.93050 0.00059 1.00000
S7 S 0.65193 0.34807 0.72414 1.00000
S8 S 0.92688 0.07312 0.27496 1.00000
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