Pu(Al2Re)4
Alexandria ALEXAlex-ID: agm059381925 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_2_spg139
AlRe Al11Re4 PuAl2
2024-10-16 03:04:58.961855
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm059381925).
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 agm059381925
data_agm059381925
_cell_length_a 6.90713
_cell_length_b 6.90713
_cell_length_c 6.90713
_cell_angle_alpha 98.22776
_cell_angle_beta 98.22776
_cell_angle_gamma 135.54357
_cell_volume 213.63963
_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 0.00000 0.00000 0.00000 1.00000
Al1 Al 0.00000 0.65603 0.65603 1.00000
Al2 Al 0.00000 0.34397 0.34397 1.00000
Al3 Al 0.65603 0.00000 0.65603 1.00000
Al4 Al 0.34397 0.00000 0.34397 1.00000
Al5 Al 0.50000 0.71341 0.21341 1.00000
Al6 Al 0.50000 0.28659 0.78659 1.00000
Al7 Al 0.71341 0.50000 0.21341 1.00000
Al8 Al 0.28659 0.50000 0.78659 1.00000
Re1 Re 0.00000 0.00000 0.50000 1.00000
Re2 Re 0.50000 0.50000 0.50000 1.00000
Re3 Re 0.00000 0.50000 0.00000 1.00000
Re4 Re 0.50000 0.00000 0.00000 1.00000
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