Pu2AlRu3
Alexandria ALEXAlex-ID: agm034509799 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_8_spg166
PuAlRu2 PuRu
2025-04-13 15:05:26
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034509799).
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 agm034509799
data_agm034509799
_cell_length_a 5.05512
_cell_length_b 5.05512
_cell_length_c 5.05141
_cell_angle_alpha 67.34980
_cell_angle_beta 112.65020
_cell_angle_gamma 112.72253
_cell_volume 105.56264
_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 0.62963 0.37037 0.87053 1.00000
Pu2 Pu 0.37037 0.62963 0.12947 1.00000
Al1 Al 0.00000 0.00000 0.50000 1.00000
Ru1 Ru 0.00000 0.50000 0.50000 1.00000
Ru2 Ru 0.00000 0.00000 0.00000 1.00000
Ru3 Ru 0.50000 0.00000 0.50000 1.00000
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