LuH3Pd
Alexandria ALEXAlex-ID: agm097955282 · Space group: Cc (#9)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_68_spg2
H4Pd LuH3 Lu2HPd6
2025-04-29 23:48:03
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097955282).
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 agm097955282
data_agm097955282
_cell_length_a 4.72534
_cell_length_b 4.73252
_cell_length_c 5.14083
_cell_angle_alpha 83.73975
_cell_angle_beta 96.23322
_cell_angle_gamma 70.73778
_cell_volume 106.59247
_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
Lu1 Lu 0.35125 0.26957 0.25106 1.00000
Lu2 Lu 0.72960 0.64875 0.75158 1.00000
H1 H 0.19692 0.71063 0.94937 1.00000
H2 H 0.74966 0.30138 0.08663 1.00000
H3 H 0.69732 0.25180 0.58647 1.00000
H4 H 0.28970 0.80524 0.44931 1.00000
H5 H 0.68087 0.76898 0.28126 1.00000
H6 H 0.23022 0.31890 0.78219 1.00000
Pd1 Pd 0.96181 0.88576 0.18122 1.00000
Pd2 Pd 0.11264 0.03899 0.68091 1.00000
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