KAgPd2F6
Alexandria ALEXAlex-ID: agm004972040 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_608_spg87
K2PdF6 Ag2PdF6 Pd
2022-07-23 02:07:05.483632
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004972040).
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 agm004972040
data_agm004972040
_cell_length_a 6.00406
_cell_length_b 6.02899
_cell_length_c 6.02420
_cell_angle_alpha 90.05862
_cell_angle_beta 120.34287
_cell_angle_gamma 120.11884
_cell_volume 153.03239
_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
K1 K 0.09636 0.55667 0.63046 1.00000
Ag1 Ag 0.09666 0.03312 0.12957 1.00000
Pd1 Pd 0.59575 0.79800 0.37995 1.00000
Pd2 Pd 0.59739 0.29883 0.88066 1.00000
F1 F 0.49465 0.00219 0.57405 1.00000
F2 F 0.49635 0.01118 0.09295 1.00000
F3 F 0.70008 0.61323 0.16910 1.00000
F4 F 0.09646 0.43733 0.12849 1.00000
F5 F 0.69521 0.60214 0.68460 1.00000
F6 F 0.09668 0.12496 0.63269 1.00000
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