Pd4S8O
Alexandria ALEXAlex-ID: agm097765006 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_2022_spg6
PdS PdS2 SO2
2025-06-18 00:22:49
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097765006).
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 agm097765006
data_agm097765006
_cell_length_a 3.49482
_cell_length_b 9.71880
_cell_length_c 8.73221
_cell_angle_alpha 102.85671
_cell_angle_beta 90.00703
_cell_angle_gamma 111.18823
_cell_volume 268.55004
_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
Pd1 Pd 0.01135 0.05223 0.07535 1.00000
Pd2 Pd 0.00131 0.53745 0.89030 1.00000
Pd3 Pd 0.89391 0.43096 0.39995 1.00000
Pd4 Pd 0.01777 0.05890 0.55930 1.00000
S1 S 0.65970 0.69497 0.01436 1.00000
S2 S 0.39703 0.43407 0.21579 1.00000
S3 S 0.34632 0.38337 0.75183 1.00000
S4 S 0.42069 0.96229 0.70150 1.00000
S5 S 0.58918 0.12981 0.41159 1.00000
S6 S 0.63720 0.67197 0.24202 1.00000
S7 S 0.47102 0.50774 0.57992 1.00000
S8 S 0.56923 0.10986 0.92494 1.00000
O1 O 0.48528 0.02638 0.23314 1.00000
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