Li2H4Pd5
Alexandria ALEXAlex-ID: agm005667683 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_842_spg2
LiH2Pd3 LiH2Pd
2023-06-21 15:09:24.107381
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005667683).
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 agm005667683
data_agm005667683
_cell_length_a 5.38156
_cell_length_b 6.89489
_cell_length_c 4.89479
_cell_angle_alpha 112.06742
_cell_angle_beta 89.23239
_cell_angle_gamma 132.05559
_cell_volume 117.24355
_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
Li1 Li 0.80843 0.73500 0.25557 1.00000
Li2 Li 0.19157 0.26500 0.74443 1.00000
H1 H 0.69603 0.32491 0.87188 1.00000
H2 H 0.30397 0.67509 0.12812 1.00000
H3 H 0.76622 0.57630 0.55061 1.00000
H4 H 0.23378 0.42370 0.44939 1.00000
Pd1 Pd 0.07533 0.65887 0.83207 1.00000
Pd2 Pd 0.92467 0.34113 0.16793 1.00000
Pd3 Pd 0.50000 0.00000 0.50000 1.00000
Pd4 Pd 0.66710 0.77866 0.76750 1.00000
Pd5 Pd 0.33290 0.22134 0.23250 1.00000
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