Al(HPd)4
Alexandria ALEXAlex-ID: agm006522158 · Space group: I4/m (#87)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C4_641_spg12
AlHPd3 H4Pd HPd
2024-02-27 15:20:03.543145
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006522158).
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 agm006522158
data_agm006522158
_cell_length_a 3.16756
_cell_length_b 5.58385
_cell_length_c 5.59529
_cell_angle_alpha 85.53464
_cell_angle_beta 106.52236
_cell_angle_gamma 106.35052
_cell_volume 91.04108
_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 0.00000 0.50000 0.00000 1.00000
H1 H 0.35525 0.03793 0.17152 1.00000
H2 H 0.64475 0.96207 0.82848 1.00000
H3 H 0.18275 0.32572 0.53673 1.00000
H4 H 0.81725 0.67428 0.46327 1.00000
Pd1 Pd 0.76383 0.84540 0.17929 1.00000
Pd2 Pd 0.58556 0.32200 0.34474 1.00000
Pd3 Pd 0.23617 0.15460 0.82071 1.00000
Pd4 Pd 0.41444 0.67800 0.65526 1.00000
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