Pu2P4Ru5
Alexandria ALEXAlex-ID: agm005666316 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_20_spg69
Pu(PRu)2 Pu5P12Ru19 PuP
2023-06-22 09:24:43.472946
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005666316).
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 agm005666316
data_agm005666316
_cell_length_a 5.59033
_cell_length_b 5.63851
_cell_length_c 7.26117
_cell_angle_alpha 78.99885
_cell_angle_beta 67.35955
_cell_angle_gamma 60.28227
_cell_volume 183.45975
_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 0.87489 1.00000 0.25021 1.00000
Pu2 Pu 0.12511 0.00000 0.74979 1.00000
P1 P 0.47445 0.31318 0.73791 1.00000
P2 P 0.52555 0.68682 0.26209 1.00000
P3 P 0.21237 0.31318 0.26209 1.00000
P4 P 0.78763 0.68682 0.73791 1.00000
Ru1 Ru 0.50000 0.00000 0.00000 1.00000
Ru2 Ru 0.00000 0.50000 0.00000 1.00000
Ru3 Ru 0.50000 0.50000 0.00000 1.00000
Ru4 Ru 0.25000 0.50000 0.50000 1.00000
Ru5 Ru 0.75000 0.50000 0.50000 1.00000
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