Rb2U(PdS3)2
Alexandria ALEXAlex-ID: agm004578422 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D6_26_spg166
Rb2U(PdS2)3 PdS2 Rb2US4
2022-06-25 02:06:50.075192
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004578422).
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 agm004578422
data_agm004578422
_cell_length_a 7.38397
_cell_length_b 7.37285
_cell_length_c 7.83731
_cell_angle_alpha 118.09909
_cell_angle_beta 90.00000
_cell_angle_gamma 120.04990
_cell_volume 309.85974
_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 0.73500 0.47001 0.20538 1.00000
Rb2 Rb 0.26500 0.52999 0.79462 1.00000
U1 U 0.50000 0.00000 0.50000 1.00000
Pd1 Pd 0.92356 0.84712 0.76868 1.00000
Pd2 Pd 0.07644 0.15288 0.23132 1.00000
S1 S 0.73601 0.47201 0.73563 1.00000
S2 S 0.26442 0.99887 0.26342 1.00000
S3 S 0.26555 0.00113 0.73658 1.00000
S4 S 0.73558 0.00113 0.73658 1.00000
S5 S 0.73445 0.99887 0.26342 1.00000
S6 S 0.26399 0.52799 0.26437 1.00000
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