Pu4Si3Os
Alexandria ALEXAlex-ID: agm017404665 · Space group: I4/mcm (#140)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_157_spg140
Pu2Si2Os Pu3Si Pu5Si3
2024-10-02 05:40:45.476618
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017404665).
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 agm017404665
data_agm017404665
_cell_length_a 8.17579
_cell_length_b 8.17579
_cell_length_c 8.17579
_cell_angle_alpha 95.96906
_cell_angle_beta 95.96906
_cell_angle_gamma 142.37442
_cell_volume 315.81263
_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 0.27289 0.59090 0.86379 1.00000
Pu2 Pu 0.72711 0.40910 0.13621 1.00000
Pu3 Pu 0.40910 0.27289 0.68199 1.00000
Pu4 Pu 0.77289 0.90910 0.68199 1.00000
Pu5 Pu 0.59090 0.72711 0.31801 1.00000
Pu6 Pu 0.22711 0.09090 0.31801 1.00000
Pu7 Pu 0.90910 0.22711 0.13621 1.00000
Pu8 Pu 0.09090 0.77289 0.86379 1.00000
Si1 Si 0.75000 0.75000 0.00000 1.00000
Si2 Si 0.25000 0.25000 0.00000 1.00000
Si3 Si 0.85955 0.64045 0.50000 1.00000
Si4 Si 0.14045 0.35955 0.50000 1.00000
Si5 Si 0.35955 0.85955 0.21911 1.00000
Si6 Si 0.64045 0.14045 0.78089 1.00000
Os1 Os 0.25000 0.75000 0.50000 1.00000
Os2 Os 0.75000 0.25000 0.50000 1.00000
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