Pu2USi2
Alexandria ALEXAlex-ID: agm005961459 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_3052_spg12
Pu3U2Si3 PuSi
2023-08-04 11:15:19.096223
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005961459).
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 agm005961459
data_agm005961459
_cell_length_a 4.41407
_cell_length_b 5.51688
_cell_length_c 9.20838
_cell_angle_alpha 98.46458
_cell_angle_beta 76.13253
_cell_angle_gamma 66.41860
_cell_volume 191.93570
_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 0.00698 0.36196 0.62408 1.00000
Pu2 Pu 0.71176 0.69120 0.88528 1.00000
Pu3 Pu 0.99302 0.63804 0.37592 1.00000
Pu4 Pu 0.28824 0.30880 0.11472 1.00000
U1 U 0.57684 0.16450 0.68182 1.00000
U2 U 0.42316 0.83550 0.31818 1.00000
Si1 Si 0.68698 0.26061 0.36543 1.00000
Si2 Si 0.99987 0.11253 0.88772 1.00000
Si3 Si 0.31302 0.73939 0.63457 1.00000
Si4 Si 0.00013 0.88747 0.11228 1.00000
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