Na2H3Pd
Alexandria ALEXAlex-ID: agm005754087 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1350_spg71
Na2H4Pd Na2H2Pd
2023-07-10 18:22:44.075426
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754087).
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 agm005754087
data_agm005754087
_cell_length_a 3.69629
_cell_length_b 6.16592
_cell_length_c 7.17000
_cell_angle_alpha 106.65394
_cell_angle_beta 90.00287
_cell_angle_gamma 107.42738
_cell_volume 148.70999
_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 0.35869 0.71735 0.42984 1.00000
Na2 Na 0.35868 0.71734 0.92987 1.00000
Na3 Na 0.64132 0.28266 0.07013 1.00000
Na4 Na 0.64131 0.28265 0.57016 1.00000
H1 H 0.49998 0.99996 0.74999 1.00000
H2 H 0.50002 0.00004 0.25001 1.00000
H3 H 0.84801 0.69594 0.67444 1.00000
H4 H 0.15197 0.30403 0.82557 1.00000
H5 H 0.84803 0.69597 0.17443 1.00000
H6 H 0.15199 0.30406 0.32556 1.00000
Pd1 Pd 0.99999 0.99999 0.24997 1.00000
Pd2 Pd 0.00001 0.00001 0.75003 1.00000
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