PuAg(H4Pd)2
Alexandria ALEXAlex-ID: agm007408542 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_303_spg148
AgHPd H4Pd PuH3
2025-05-28 05:35:33
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007408542).
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 agm007408542
data_agm007408542
_cell_length_a 4.99686
_cell_length_b 4.94241
_cell_length_c 5.16510
_cell_angle_alpha 76.01829
_cell_angle_beta 92.59347
_cell_angle_gamma 72.49789
_cell_volume 117.08826
_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 0.50000 0.00000 0.50000 1.00000
Ag1 Ag 0.00000 0.00000 0.00000 1.00000
H1 H 0.99287 0.28444 0.59712 1.00000
H2 H 0.72227 0.22651 0.17574 1.00000
H3 H 0.00713 0.71556 0.40288 1.00000
H4 H 0.17658 0.30579 0.11036 1.00000
H5 H 0.82342 0.69421 0.88964 1.00000
H6 H 0.52013 0.65443 0.27348 1.00000
H7 H 0.47987 0.34557 0.72652 1.00000
H8 H 0.27773 0.77349 0.82426 1.00000
Pd1 Pd 0.86311 0.47978 0.25128 1.00000
Pd2 Pd 0.13689 0.52022 0.74872 1.00000
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