Al2CuH8Pd
Alexandria ALEXAlex-ID: agm007186936 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1466_spg2
AlH9 AlPd AlCu3 CuH4
2024-01-28 09:27:48.693541
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007186936).
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 agm007186936
data_agm007186936
_cell_length_a 3.69525
_cell_length_b 4.62171
_cell_length_c 6.58048
_cell_angle_alpha 103.96639
_cell_angle_beta 74.24631
_cell_angle_gamma 101.42852
_cell_volume 103.90126
_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
Al1 Al 0.58591 0.29967 0.60354 1.00000
Al2 Al 0.41409 0.70033 0.39646 1.00000
Cu1 Cu 0.00000 0.00000 0.00000 1.00000
H1 H 0.73095 0.07358 0.35861 1.00000
H2 H 0.76216 0.71871 0.82718 1.00000
H3 H 0.26905 0.92642 0.64139 1.00000
H4 H 0.18267 0.37881 0.54814 1.00000
H5 H 0.81733 0.62119 0.45186 1.00000
H6 H 0.19694 0.76149 0.09962 1.00000
H7 H 0.80306 0.23851 0.90038 1.00000
H8 H 0.23784 0.28129 0.17282 1.00000
Pd1 Pd 0.50000 0.50000 0.00000 1.00000
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