Pu2SbAu6
Alexandria ALEXAlex-ID: agm005666360 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_0_spg164
Pu2Au7 PuAu5 PuSb2Au
2023-07-09 08:03:01.882910
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005666360).
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
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# CIF generated by HEAS from Alexandria entry agm005666360
data_agm005666360
_cell_length_a 5.56600
_cell_length_b 6.45458
_cell_length_c 6.47500
_cell_angle_alpha 119.89571
_cell_angle_beta 89.86040
_cell_angle_gamma 89.99999
_cell_volume 201.66747
_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 0.83239 0.66616 0.33232 1.00000
Pu2 Pu 0.16761 0.33384 0.66768 1.00000
Sb1 Sb 0.00000 0.00000 0.00000 1.00000
Au1 Au 0.32686 0.37543 0.18816 1.00000
Au2 Au 0.32587 0.81158 0.62316 1.00000
Au3 Au 0.32686 0.81273 0.18816 1.00000
Au4 Au 0.67314 0.62457 0.81184 1.00000
Au5 Au 0.67413 0.18842 0.37684 1.00000
Au6 Au 0.67314 0.18727 0.81184 1.00000
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