Na2H3Pd2
Alexandria ALEXAlex-ID: agm007247698 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_3161_spg14
Na2H3Pd2
2024-08-07 19:36:32.991610
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007247698).
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 agm007247698
data_agm007247698
_cell_length_a 5.48159
_cell_length_b 5.42434
_cell_length_c 6.50280
_cell_angle_alpha 59.93064
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 167.33272
_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 0.62406 0.33781 0.39773 1.00000
Na2 Na 0.87594 0.33781 0.89773 1.00000
Na3 Na 0.12406 0.66219 0.10227 1.00000
Na4 Na 0.37594 0.66219 0.60227 1.00000
H1 H 0.50000 0.50000 0.00000 1.00000
H2 H 0.00000 0.50000 0.50000 1.00000
H3 H 0.15352 0.12980 0.31307 1.00000
H4 H 0.65352 0.87020 0.18693 1.00000
H5 H 0.34648 0.12980 0.81307 1.00000
H6 H 0.84648 0.87020 0.68693 1.00000
Pd1 Pd 0.38186 0.14481 0.10148 1.00000
Pd2 Pd 0.88186 0.85519 0.39852 1.00000
Pd3 Pd 0.11814 0.14481 0.60148 1.00000
Pd4 Pd 0.61814 0.85519 0.89852 1.00000
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