Pu2Re3Si5
Alexandria ALEXAlex-ID: agm005268558 · Space group: P4/mnc (#128)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C5_57_spg128
Pu2Re3Si5
2024-10-08 22:19:55
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005268558).
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 agm005268558
data_agm005268558
_cell_length_a 10.99344
_cell_length_b 10.99344
_cell_length_c 5.51381
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 666.37621
_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 0.57546 0.73546 0.50000 1.00000
Pu2 Pu 0.42454 0.26454 0.50000 1.00000
Pu3 Pu 0.07546 0.76454 0.00000 1.00000
Pu4 Pu 0.92454 0.23546 0.00000 1.00000
Pu5 Pu 0.26454 0.57546 0.50000 1.00000
Pu6 Pu 0.73546 0.42454 0.50000 1.00000
Pu7 Pu 0.23546 0.07546 0.00000 1.00000
Pu8 Pu 0.76454 0.92454 0.00000 1.00000
Re1 Re 0.87872 0.85522 0.50000 1.00000
Re2 Re 0.12128 0.14478 0.50000 1.00000
Re3 Re 0.37872 0.64478 0.00000 1.00000
Re4 Re 0.62128 0.35522 0.00000 1.00000
Re5 Re 0.14478 0.87872 0.50000 1.00000
Re6 Re 0.85522 0.12128 0.50000 1.00000
Re7 Re 0.35522 0.37872 0.00000 1.00000
Re8 Re 0.64478 0.62128 0.00000 1.00000
Re9 Re 0.50000 0.00000 0.25000 1.00000
Re10 Re 0.00000 0.50000 0.75000 1.00000
Re11 Re 0.00000 0.50000 0.25000 1.00000
Re12 Re 0.50000 0.00000 0.75000 1.00000
Si1 Si 0.67279 0.17279 0.25000 1.00000
Si2 Si 0.32721 0.82721 0.25000 1.00000
Si3 Si 0.17279 0.32721 0.75000 1.00000
Si4 Si 0.82721 0.67279 0.75000 1.00000
Si5 Si 0.82721 0.67279 0.25000 1.00000
Si6 Si 0.17279 0.32721 0.25000 1.00000
Si7 Si 0.67279 0.17279 0.75000 1.00000
Si8 Si 0.32721 0.82721 0.75000 1.00000
Si9 Si 0.50000 0.50000 0.26585 1.00000
Si10 Si 0.00000 0.00000 0.76585 1.00000
Si11 Si 0.50000 0.50000 0.73415 1.00000
Si12 Si 0.00000 0.00000 0.23415 1.00000
Si13 Si 0.68579 0.97098 0.50000 1.00000
Si14 Si 0.31421 0.02902 0.50000 1.00000
Si15 Si 0.18579 0.52902 0.00000 1.00000
Si16 Si 0.81421 0.47098 0.00000 1.00000
Si17 Si 0.02902 0.68579 0.50000 1.00000
Si18 Si 0.97098 0.31421 0.50000 1.00000
Si19 Si 0.47098 0.18579 0.00000 1.00000
Si20 Si 0.52902 0.81421 0.00000 1.00000
