RbPu(CuI4)2
Alexandria ALEXAlex-ID: agm004882707 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_293_spg12
Rb2PuI6 PuI3 I Cu3I4
2022-12-21 06:29:08.757714
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004882707).
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 agm004882707
data_agm004882707
_cell_length_a 7.36126
_cell_length_b 7.36126
_cell_length_c 10.64813
_cell_angle_alpha 86.19440
_cell_angle_beta 86.19440
_cell_angle_gamma 68.94756
_cell_volume 536.74112
_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
Rb1 Rb 0.00000 0.00000 0.50000 1.00000
Pu1 Pu 0.00000 0.00000 0.00000 1.00000
Cu1 Cu 0.62931 0.62931 0.22541 1.00000
Cu2 Cu 0.37069 0.37069 0.77459 1.00000
I1 I 0.75574 0.26377 0.79573 1.00000
I2 I 0.75290 0.75290 0.01337 1.00000
I3 I 0.69611 0.69611 0.44191 1.00000
I4 I 0.30389 0.30389 0.55809 1.00000
I5 I 0.24710 0.24710 0.98663 1.00000
I6 I 0.26377 0.75574 0.79573 1.00000
I7 I 0.73623 0.24426 0.20427 1.00000
I8 I 0.24426 0.73623 0.20427 1.00000
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