NaCd(H3Pd)2
Alexandria ALEXAlex-ID: agm082465645 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_834_spg1
NaH3Pd CdPd H2
2025-05-27 03:54:58
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm082465645).
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 agm082465645
data_agm082465645
_cell_length_a 5.15087
_cell_length_b 5.70441
_cell_length_c 5.04389
_cell_angle_alpha 120.78807
_cell_angle_beta 125.67699
_cell_angle_gamma 68.52030
_cell_volume 102.93412
_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 0.99981 0.04981 0.99958 1.00000
Cd1 Cd 0.50080 0.55058 0.00063 1.00000
H1 H 0.00231 0.54896 0.50133 1.00000
H2 H 0.99939 0.04959 0.49918 1.00000
H3 H 0.39872 0.37822 0.25943 1.00000
H4 H 0.60073 0.72129 0.73889 1.00000
H5 H 0.45888 0.00374 0.50056 1.00000
H6 H 0.54003 0.09832 0.50190 1.00000
Pd1 Pd 0.17797 0.68456 0.39665 1.00000
Pd2 Pd 0.82138 0.41493 0.60185 1.00000
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