Ba(PuSi3)2
Alexandria ALEXAlex-ID: agm005668141 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_96_spg71
BaSi2 PuSi2
2023-07-09 14:05:31.266366
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005668141).
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 agm005668141
data_agm005668141
_cell_length_a 4.12972
_cell_length_b 7.42695
_cell_length_c 7.42695
_cell_angle_alpha 74.56752
_cell_angle_beta 73.89139
_cell_angle_gamma 73.89138
_cell_volume 205.79637
_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
Ba1 Ba 0.00008 0.99992 0.99992 1.00000
Pu1 Pu 0.15219 0.34749 0.34749 1.00000
Pu2 Pu 0.84779 0.65254 0.65254 1.00000
Si1 Si 0.30979 0.94234 0.43809 1.00000
Si2 Si 0.69021 0.05771 0.56187 1.00000
Si3 Si 0.69021 0.56187 0.05771 1.00000
Si4 Si 0.49999 0.36063 0.63940 1.00000
Si5 Si 0.49999 0.63940 0.36063 1.00000
Si6 Si 0.30979 0.43809 0.94234 1.00000
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