Rb2Pd(ClF2)2
Alexandria ALEXAlex-ID: agm004565670 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D4_166_spg139
Rb2PdF6 Rb2PdCl6
2022-06-19 13:25:49.112560
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004565670).
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 agm004565670
data_agm004565670
_cell_length_a 6.38941
_cell_length_b 6.38941
_cell_length_c 6.38941
_cell_angle_alpha 98.17179
_cell_angle_beta 115.39962
_cell_angle_gamma 115.39962
_cell_volume 195.11708
_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
Rb1 Rb 0.50000 0.75000 0.25000 1.00000
Rb2 Rb 0.50000 0.25000 0.75000 1.00000
Pd1 Pd 0.00000 0.00000 0.00000 1.00000
Cl1 Cl 0.00000 0.72191 0.72191 1.00000
Cl2 Cl 1.00000 0.27809 0.27809 1.00000
F1 F 0.00000 0.79612 0.20388 1.00000
F2 F 0.59225 0.79612 0.79612 1.00000
F3 F 0.00000 0.20388 0.79612 1.00000
F4 F 0.40775 0.20388 0.20388 1.00000
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