PdS4F
Alexandria ALEXAlex-ID: agm005751986 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_2992_spg2
SF4 PdS11 PdS2
2023-07-28 09:49:31.970391
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005751986).
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 agm005751986
data_agm005751986
_cell_length_a 9.06158
_cell_length_b 5.61438
_cell_length_c 7.24837
_cell_angle_alpha 79.66707
_cell_angle_beta 50.37076
_cell_angle_gamma 92.70007
_cell_volume 272.98811
_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 0.50000 0.50000 0.50000 1.00000
Pd2 Pd 0.00000 0.00000 0.50000 1.00000
S1 S 0.19387 0.34172 0.90841 1.00000
S2 S 0.24310 0.30822 0.14242 1.00000
S3 S 0.80613 0.65828 0.09159 1.00000
S4 S 0.75690 0.69178 0.85758 1.00000
S5 S 0.40203 0.09518 0.52975 1.00000
S6 S 0.14103 0.65110 0.35437 1.00000
S7 S 0.59797 0.90482 0.47025 1.00000
S8 S 0.85897 0.34890 0.64563 1.00000
F1 F 0.70317 0.17840 0.95597 1.00000
F2 F 0.29683 0.82160 0.04403 1.00000
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