Al2H7Pd2
Alexandria ALEXAlex-ID: agm006356285 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C7_231_spg12
H2 AlPd
2025-04-29 17:55:53
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006356285).
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 agm006356285
data_agm006356285
_cell_length_a 4.84935
_cell_length_b 5.20368
_cell_length_c 4.95325
_cell_angle_alpha 107.35089
_cell_angle_beta 102.11207
_cell_angle_gamma 95.00243
_cell_volume 115.13712
_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 0.71794 0.93522 0.28316 1.00000
Al2 Al 0.28206 0.06478 0.71684 1.00000
H1 H 0.21229 0.52991 0.61488 1.00000
H2 H 0.88999 0.70713 0.00326 1.00000
H3 H 0.78771 0.47009 0.38512 1.00000
H4 H 0.11001 0.29287 0.99674 1.00000
H5 H 0.50000 0.00000 0.00000 1.00000
H6 H 0.55893 0.24149 0.64619 1.00000
H7 H 0.44107 0.75851 0.35381 1.00000
Pd1 Pd 0.91684 0.36796 0.68681 1.00000
Pd2 Pd 0.08316 0.63204 0.31319 1.00000
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