KH6IrPd
Alexandria ALEXAlex-ID: agm005098705 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD6_423_spg38
H4Pd K2H7Ir HPd Ir
2022-12-15 13:55:56.673172
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005098705).
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 agm005098705
data_agm005098705
_cell_length_a 5.32220
_cell_length_b 5.02050
_cell_length_c 4.48722
_cell_angle_alpha 89.96461
_cell_angle_beta 90.00750
_cell_angle_gamma 57.99222
_cell_volume 101.67137
_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 0.99100 0.01792 0.99999 1.00000
H1 H 0.05717 0.26662 0.49964 1.00000
H2 H 0.48483 0.03051 0.72101 1.00000
H3 H 0.67613 0.26663 0.49939 1.00000
H4 H 0.98360 0.69465 0.50078 1.00000
H5 H 0.32180 0.69464 0.50078 1.00000
H6 H 0.48457 0.03053 0.27858 1.00000
Ir1 Ir 0.32712 0.34569 0.49977 1.00000
Pd1 Pd 0.67354 0.65285 0.49997 1.00000
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