AlH9Pd2
Alexandria ALEXAlex-ID: agm099478554 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C9_1123_spg1
AlPd2 H2
2025-06-14 11:46:12
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm099478554).
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 agm099478554
data_agm099478554
_cell_length_a 7.11124
_cell_length_b 7.48943
_cell_length_c 4.86360
_cell_angle_alpha 71.57206
_cell_angle_beta 94.58660
_cell_angle_gamma 93.67535
_cell_volume 244.75497
_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 0.06764 0.83460 0.53401 1.00000
Al2 Al 0.97156 0.37585 0.11032 1.00000
H1 H 0.88897 0.94205 0.27195 1.00000
H2 H 0.82100 0.22657 0.69115 1.00000
H3 H 0.01194 0.90135 0.81775 1.00000
H4 H 0.76314 0.49204 0.33260 1.00000
H5 H 0.09922 0.55066 0.24603 1.00000
H6 H 0.23685 0.16279 0.16585 1.00000
H7 H 0.94746 0.61143 0.75495 1.00000
H8 H 0.15605 0.23715 0.71459 1.00000
H9 H 0.58626 0.74119 0.72158 1.00000
H10 H 0.53234 0.82689 0.10817 1.00000
H11 H 0.58700 0.03862 0.57127 1.00000
H12 H 0.36902 0.52648 0.57103 1.00000
H13 H 0.69090 0.74725 0.75402 1.00000
H14 H 0.43992 0.84831 0.15301 1.00000
H15 H 0.50888 0.06950 0.43288 1.00000
H16 H 0.47239 0.47981 0.59282 1.00000
H17 H 0.29106 0.83032 0.53431 1.00000
H18 H 0.54594 0.40568 0.06858 1.00000
Pd1 Pd 0.01557 0.08440 0.99432 1.00000
Pd2 Pd 0.99030 0.45768 0.57081 1.00000
Pd3 Pd 0.34252 0.32778 0.90475 1.00000
Pd4 Pd 0.66409 0.28161 0.38325 1.00000
