NaH6PdAu2
Alexandria ALEXAlex-ID: agm007394338 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_229_spg12
NaAu5 H6Au H4Pd NaH3Pd
2025-05-27 19:33:37
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007394338).
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
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# CIF generated by HEAS from Alexandria entry agm007394338
data_agm007394338
_cell_length_a 4.91806
_cell_length_b 5.13979
_cell_length_c 6.00859
_cell_angle_alpha 56.37256
_cell_angle_beta 78.50709
_cell_angle_gamma 64.94903
_cell_volume 114.44550
_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
Na1 Na 0.18159 0.18432 0.44970 1.00000
H1 H 0.99312 0.73008 0.74582 1.00000
H2 H 0.61833 0.11165 0.70776 1.00000
H3 H 0.54591 0.64499 0.71747 1.00000
H4 H 0.74976 0.25578 0.18876 1.00000
H5 H 0.82186 0.72372 0.17849 1.00000
H6 H 0.37503 0.63656 0.15148 1.00000
Pd1 Pd 0.68397 0.68389 0.94831 1.00000
Au1 Au 0.32878 0.41087 0.76954 1.00000
Au2 Au 0.04005 0.95655 0.12748 1.00000
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