Pd(S2F)2
Alexandria ALEXAlex-ID: agm006030278 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_3304_spg1
SF4 PdS11 PdS2
2023-09-20 19:56:34
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006030278).
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 agm006030278
data_agm006030278
_cell_length_a 13.03648
_cell_length_b 6.44748
_cell_length_c 9.07110
_cell_angle_alpha 52.54087
_cell_angle_beta 35.45687
_cell_angle_gamma 60.53545
_cell_volume 351.07239
_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
S1 S 0.93301 0.11431 0.87155 1.00000
S2 S 0.61892 0.54048 0.47072 1.00000
S3 S 0.12485 0.93001 0.07717 1.00000
S4 S 0.67015 0.16308 0.17737 1.00000
S5 S 0.10754 0.55979 0.22028 1.00000
S6 S 0.42671 0.78148 0.12835 1.00000
S7 S 0.83571 0.50101 0.11945 1.00000
S8 S 0.47033 0.98619 0.16768 1.00000
Pd1 Pd 0.62927 0.58905 0.13049 1.00000
Pd2 Pd 0.85637 0.03779 0.23571 1.00000
F1 F 0.23812 0.60703 0.45475 1.00000
F2 F 0.68503 0.50534 0.58460 1.00000
F3 F 0.18965 0.50170 0.97807 1.00000
F4 F 0.71431 0.93275 0.63380 1.00000
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