KFe2PdCl8
Alexandria ALEXAlex-ID: agm004876142 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_38_spg12
KFeCl4 Fe3Cl8 Pd PdCl2
2022-12-23 12:24:10.047511
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004876142).
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 agm004876142
data_agm004876142
_cell_length_a 6.75487
_cell_length_b 7.69400
_cell_length_c 8.94387
_cell_angle_alpha 61.30658
_cell_angle_beta 67.81331
_cell_angle_gamma 63.96182
_cell_volume 358.05934
_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 0.50000 0.50000 0.50000 1.00000
Fe1 Fe 0.31046 0.21919 0.15989 1.00000
Fe2 Fe 0.68954 0.78081 0.84011 1.00000
Pd1 Pd 0.00000 0.00000 0.00000 1.00000
Cl1 Cl 0.85804 0.64040 0.64352 1.00000
Cl2 Cl 0.67307 0.54607 0.10779 1.00000
Cl3 Cl 0.14196 0.35960 0.35648 1.00000
Cl4 Cl 0.32693 0.45393 0.89221 1.00000
Cl5 Cl 0.65302 0.99483 0.21221 1.00000
Cl6 Cl 0.34698 0.00517 0.78779 1.00000
Cl7 Cl 0.13993 0.99483 0.21221 1.00000
Cl8 Cl 0.86007 0.00517 0.78779 1.00000
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