PuAl(H4Pd)2
Alexandria ALEXAlex-ID: agm007451834 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_14_spg1
AlPd2 PuH3 H2
2025-06-11 21:34:50
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007451834).
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 agm007451834
data_agm007451834
_cell_length_a 4.56743
_cell_length_b 4.73912
_cell_length_c 6.20054
_cell_angle_alpha 93.93143
_cell_angle_beta 106.05811
_cell_angle_gamma 122.12590
_cell_volume 105.32396
_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
Pu1 Pu 0.99588 0.47023 0.51233 1.00000
Al1 Al 0.87852 0.97917 0.93677 1.00000
H1 H 0.42530 0.92263 0.36495 1.00000
H2 H 0.31942 0.86609 0.96382 1.00000
H3 H 0.59764 0.03636 0.67541 1.00000
H4 H 0.93238 0.42830 0.09448 1.00000
H5 H 0.61362 0.57606 0.70970 1.00000
H6 H 0.42678 0.41528 0.37070 1.00000
H7 H 0.03790 0.02262 0.62946 1.00000
H8 H 0.88958 0.90712 0.22385 1.00000
Pd1 Pd 0.47024 0.23156 0.85560 1.00000
Pd2 Pd 0.41273 0.64458 0.16293 1.00000
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