CsPdF4
Alexandria ALEXAlex-ID: agm002270617 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_52_spg15
PdF2 Cs2PdF6
2019-01-04 17:47:49
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002270617).
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 agm002270617
data_agm002270617
_cell_length_a 5.78659
_cell_length_b 5.81307
_cell_length_c 7.77693
_cell_angle_alpha 111.96866
_cell_angle_beta 112.24423
_cell_angle_gamma 90.01243
_cell_volume 221.46259
_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
Cs1 Cs 0.24982 0.23896 0.49944 1.00000
Cs2 Cs 0.75018 0.76104 0.50057 1.00000
Pd1 Pd 1.00000 0.50000 1.00000 1.00000
Pd2 Pd 0.50000 1.00000 0.00000 1.00000
F1 F 0.19460 0.19492 0.96546 1.00000
F2 F 0.85502 0.38492 0.70280 1.00000
F3 F 0.35454 0.81737 0.70281 1.00000
F4 F 0.30570 0.72961 0.03501 1.00000
F5 F 0.80540 0.80508 0.03453 1.00000
F6 F 0.69431 0.27039 0.96498 1.00000
F7 F 0.14498 0.61508 0.29720 1.00000
F8 F 0.64547 0.18263 0.29719 1.00000
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