Rb2U3PbS8
Alexandria ALEXAlex-ID: agm040790792 · Space group: R3m (#160)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D8_261_spg146
US2 Rb2U2PbS6
2025-03-13 02:35:04
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040790792).
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 agm040790792
data_agm040790792
_cell_length_a 8.21615
_cell_length_b 8.21615
_cell_length_c 9.40464
_cell_angle_alpha 64.61685
_cell_angle_beta 115.38315
_cell_angle_gamma 119.96332
_cell_volume 477.87488
_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 0.13451 0.86549 0.41315 1.00000
Rb2 Rb 0.48761 0.51239 0.46509 1.00000
U1 U 0.98788 0.50772 0.97162 1.00000
U2 U 0.49228 0.01212 0.97162 1.00000
U3 U 0.49233 0.50767 0.97150 1.00000
Pb1 Pb 0.97992 0.02008 0.93895 1.00000
S1 S 0.27002 0.72998 0.80596 1.00000
S2 S 0.71300 0.28700 0.14107 1.00000
S3 S 0.22369 0.77631 0.14403 1.00000
S4 S 0.22367 0.30558 0.14375 1.00000
S5 S 0.69442 0.77633 0.14375 1.00000
S6 S 0.29722 0.25176 0.78944 1.00000
S7 S 0.74824 0.70278 0.78944 1.00000
S8 S 0.74753 0.25247 0.78904 1.00000
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