CsPdF4
Alexandria ALEXAlex-ID: agm005779467 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1869_spg63
PdF2 Cs2PdF6
2023-07-28 07:54:21.757636
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005779467).
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 agm005779467
data_agm005779467
_cell_length_a 4.42103
_cell_length_b 6.37329
_cell_length_c 8.42487
_cell_angle_alpha 90.00000
_cell_angle_beta 105.21131
_cell_angle_gamma 90.00000
_cell_volume 229.06693
_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 0.84748 0.80571 0.69497 1.00000
Cs2 Cs 0.15252 0.30571 0.30503 1.00000
Pd1 Pd 0.57652 0.77010 0.15305 1.00000
Pd2 Pd 0.42348 0.27010 0.84695 1.00000
F1 F 0.92532 0.26960 0.85064 1.00000
F2 F 0.07468 0.76960 0.14936 1.00000
F3 F 0.47554 0.96356 0.95108 1.00000
F4 F 0.52446 0.46356 0.04892 1.00000
F5 F 0.67800 0.60593 0.35599 1.00000
F6 F 0.32200 0.10593 0.64401 1.00000
F7 F 0.64561 0.01849 0.29121 1.00000
F8 F 0.35439 0.51849 0.70879 1.00000
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