PuH8Pd2Pb
Alexandria ALEXAlex-ID: agm007455147 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_45_spg166
H4Pd H2Pd3Pb H6Pb PuH3
2025-05-28 04:12:17
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007455147).
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 agm007455147
data_agm007455147
_cell_length_a 4.67076
_cell_length_b 4.73140
_cell_length_c 6.68540
_cell_angle_alpha 102.13918
_cell_angle_beta 100.68263
_cell_angle_gamma 114.23415
_cell_volume 125.44470
_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
H1 H 0.05660 0.09212 0.57121 1.00000
H2 H 0.44095 0.68885 0.12451 1.00000
H3 H 0.94340 0.90788 0.42879 1.00000
H4 H 0.55905 0.31115 0.87549 1.00000
H5 H 0.90630 0.33346 0.29912 1.00000
H6 H 0.09370 0.66654 0.70088 1.00000
H7 H 0.52433 0.48783 0.42781 1.00000
H8 H 0.47567 0.51217 0.57219 1.00000
Pd1 Pd 0.68449 0.50674 0.19940 1.00000
Pd2 Pd 0.31551 0.49326 0.80060 1.00000
Pb1 Pb 0.00000 0.00000 0.00000 1.00000
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