SnPd2F8
Alexandria ALEXAlex-ID: agm005869656 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_396_spg12
PdF2 SnPdF6
2023-10-16 15:55:06.463249
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005869656).
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 agm005869656
data_agm005869656
_cell_length_a 5.28386
_cell_length_b 5.85417
_cell_length_c 5.85417
_cell_angle_alpha 88.31216
_cell_angle_beta 97.00078
_cell_angle_gamma 97.00079
_cell_volume 178.37504
_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
Sn1 Sn 0.00000 0.00000 0.00000 1.00000
Pd1 Pd 0.48516 0.68248 0.68248 1.00000
Pd2 Pd 0.51484 0.31752 0.31752 1.00000
F1 F 0.24733 0.27820 0.95579 1.00000
F2 F 0.75267 0.04421 0.72180 1.00000
F3 F 0.18890 0.80591 0.80591 1.00000
F4 F 0.81110 0.19409 0.19409 1.00000
F5 F 0.24733 0.95579 0.27820 1.00000
F6 F 0.75267 0.72180 0.04421 1.00000
F7 F 0.75310 0.54508 0.54508 1.00000
F8 F 0.24690 0.45492 0.45492 1.00000
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