Pu3Si2Ru7
Alexandria ALEXAlex-ID: agm024881418 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_3_spg166
Pu(SiRu)2 Pu2SiRu3 Ru
2025-05-17 12:55:32
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024881418).
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 agm024881418
data_agm024881418
_cell_length_a 5.44945
_cell_length_b 5.44945
_cell_length_c 8.47475
_cell_angle_alpha 71.36932
_cell_angle_beta 108.63068
_cell_angle_gamma 120.07651
_cell_volume 202.43712
_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 0.50000 1.00000
Pu2 Pu 0.86053 0.13947 0.08152 1.00000
Pu3 Pu 0.13947 0.86053 0.91848 1.00000
Si1 Si 0.66603 0.33397 0.49477 1.00000
Si2 Si 0.33397 0.66603 0.50523 1.00000
Ru1 Ru 0.50000 0.50000 0.00000 1.00000
Ru2 Ru 0.41824 0.07446 0.26070 1.00000
Ru3 Ru 0.92554 0.58176 0.26070 1.00000
Ru4 Ru 0.41921 0.58079 0.26269 1.00000
Ru5 Ru 0.58176 0.92554 0.73930 1.00000
Ru6 Ru 0.58079 0.41921 0.73731 1.00000
Ru7 Ru 0.07446 0.41824 0.73930 1.00000
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