NaH8Pd2Pb
Alexandria ALEXAlex-ID: agm007569488 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1163_spg2
H2Pd3Pb H6Pb H4Pd NaH3Pd
2024-02-09 01:36:24
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007569488).
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 agm007569488
data_agm007569488
_cell_length_a 3.48954
_cell_length_b 6.01029
_cell_length_c 7.62701
_cell_angle_alpha 92.18262
_cell_angle_beta 94.84798
_cell_angle_gamma 123.74976
_cell_volume 131.82858
_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 0.02438 0.98483 0.05309 1.00000
H1 H 0.78928 0.20508 0.29255 1.00000
H2 H 0.79830 0.27370 0.96591 1.00000
H3 H 0.24963 0.79896 0.69765 1.00000
H4 H 0.24192 0.70906 0.01960 1.00000
H5 H 0.75178 0.33507 0.61244 1.00000
H6 H 0.22743 0.68989 0.35388 1.00000
H7 H 0.51521 0.52621 0.79341 1.00000
H8 H 0.53533 0.47616 0.19606 1.00000
Pd1 Pd 0.01165 0.52260 0.80615 1.00000
Pd2 Pd 0.02372 0.47017 0.17449 1.00000
Pb1 Pb 0.83137 0.00827 0.53477 1.00000
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