Pu8Pa6Al
Alexandria ALEXAlex-ID: agm072269656 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_62_spg148
PuPaAl4 Pa7Al Pu
2024-10-05 07:37:31.013607
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072269656).
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 agm072269656
data_agm072269656
_cell_length_a 7.09535
_cell_length_b 7.09535
_cell_length_c 7.09535
_cell_angle_alpha 73.82866
_cell_angle_beta 73.82866
_cell_angle_gamma 73.82866
_cell_volume 321.58717
_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 0.23576 0.23576 0.23576 1.00000
Pu2 Pu 0.76424 0.76424 0.76424 1.00000
Pu3 Pu 0.91611 0.44036 0.91611 1.00000
Pu4 Pu 0.91611 0.91611 0.44036 1.00000
Pu5 Pu 0.44036 0.91611 0.91611 1.00000
Pu6 Pu 0.08389 0.55964 0.08389 1.00000
Pu7 Pu 0.08389 0.08389 0.55964 1.00000
Pu8 Pu 0.55964 0.08389 0.08389 1.00000
Pa1 Pa 0.68896 0.27551 0.27551 1.00000
Pa2 Pa 0.27551 0.68896 0.27551 1.00000
Pa3 Pa 0.27551 0.27551 0.68896 1.00000
Pa4 Pa 0.31104 0.72449 0.72449 1.00000
Pa5 Pa 0.72449 0.31104 0.72449 1.00000
Pa6 Pa 0.72449 0.72449 0.31104 1.00000
Al1 Al 0.00000 0.00000 0.00000 1.00000
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