Rb2PdS2N
Alexandria ALEXAlex-ID: agm004750737 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D2_290_spg72
Rb2PdS2 RbS Rb2Pd3S4 RbN6
2022-07-11 12:36:46.988689
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004750737).
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 agm004750737
data_agm004750737
_cell_length_a 6.26512
_cell_length_b 7.07188
_cell_length_c 7.72815
_cell_angle_alpha 117.22847
_cell_angle_beta 113.91267
_cell_angle_gamma 90.00000
_cell_volume 270.98744
_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 0.69495 0.07363 0.38989 1.00000
Rb2 Rb 0.19495 0.31626 0.38989 1.00000
Rb3 Rb 0.80505 0.68374 0.61011 1.00000
Rb4 Rb 0.30505 0.92637 0.61011 1.00000
Pd1 Pd 0.75000 0.50000 0.00000 1.00000
Pd2 Pd 0.25000 0.50000 0.00000 1.00000
S1 S 0.46196 0.72440 0.92393 1.00000
S2 S 0.53804 0.27560 0.07607 1.00000
S3 S 0.03804 0.80048 0.07607 1.00000
S4 S 0.96196 0.19952 0.92393 1.00000
N1 N 0.25000 0.00000 0.00000 1.00000
N2 N 0.75000 0.00000 0.00000 1.00000
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