Na2H7Pd
Alexandria ALEXAlex-ID: agm007299362 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_280_spg15
Na2H6Pd NaH7 NaH3Pd
2024-08-14 06:36:47.605109
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007299362).
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 agm007299362
data_agm007299362
_cell_length_a 5.26493
_cell_length_b 5.26493
_cell_length_c 9.31114
_cell_angle_alpha 68.44826
_cell_angle_beta 68.44826
_cell_angle_gamma 54.90273
_cell_volume 192.22921
_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 0.37078 0.90919 0.88918 1.00000
Na2 Na 0.90919 0.37078 0.38918 1.00000
Na3 Na 0.09081 0.62922 0.61082 1.00000
Na4 Na 0.62922 0.09081 0.11082 1.00000
H1 H 0.64671 0.13738 0.64170 1.00000
H2 H 0.13738 0.64671 0.14170 1.00000
H3 H 0.43793 0.34294 0.36113 1.00000
H4 H 0.88495 0.88329 0.86553 1.00000
H5 H 0.40190 0.59810 0.75000 1.00000
H6 H 0.34294 0.43793 0.86113 1.00000
H7 H 0.11671 0.11505 0.63447 1.00000
H8 H 0.88329 0.88495 0.36553 1.00000
H9 H 0.65706 0.56207 0.13887 1.00000
H10 H 0.59810 0.40190 0.25000 1.00000
H11 H 0.11505 0.11671 0.13447 1.00000
H12 H 0.56207 0.65706 0.63887 1.00000
H13 H 0.86262 0.35329 0.85830 1.00000
H14 H 0.35329 0.86262 0.35830 1.00000
Pd1 Pd 0.74895 0.25105 0.75000 1.00000
Pd2 Pd 0.25105 0.74895 0.25000 1.00000
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