Pu2AuI6
Alexandria ALEXAlex-ID: agm097185032 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_17_spg2
PuI3 Au
2025-04-07 03:03:20
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097185032).
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 agm097185032
data_agm097185032
_cell_length_a 6.37166
_cell_length_b 6.21895
_cell_length_c 10.24362
_cell_angle_alpha 73.75387
_cell_angle_beta 92.51556
_cell_angle_gamma 88.94581
_cell_volume 389.12129
_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 0.48769 0.19392 0.93233 1.00000
Pu2 Pu 0.95508 0.36050 0.56685 1.00000
Au1 Au 0.72374 0.27950 0.25002 1.00000
I1 I 0.48339 0.69906 0.91796 1.00000
I2 I 0.45927 0.34547 0.60510 1.00000
I3 I 0.01590 0.56115 0.25571 1.00000
I4 I 0.98357 0.20859 0.89451 1.00000
I5 I 0.43203 0.99727 0.24443 1.00000
I6 I 0.95933 0.85453 0.58309 1.00000
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