RbAc2PuO6
Alexandria ALEXAlex-ID: agm004950652 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_266_spg146
Ac2Pu2O7 Ac3PuO7 Rb4PuO5 Ac2O3
2022-07-31 02:51:59.602434
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004950652).
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 agm004950652
data_agm004950652
_cell_length_a 6.37774
_cell_length_b 6.37777
_cell_length_c 6.65862
_cell_angle_alpha 61.38323
_cell_angle_beta 61.38586
_cell_angle_gamma 60.00061
_cell_volume 195.42739
_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 0.78630 0.78634 0.64105 1.00000
Ac1 Ac 0.53060 0.53060 0.40817 1.00000
Ac2 Ac 0.01440 0.01443 0.95677 1.00000
Pu1 Pu 0.32264 0.32265 0.03208 1.00000
O1 O 0.57250 0.25250 0.21457 1.00000
O2 O 0.25250 0.96049 0.21458 1.00000
O3 O 0.96047 0.57242 0.21455 1.00000
O4 O 0.35915 0.68076 0.77781 1.00000
O5 O 0.68077 0.18226 0.77783 1.00000
O6 O 0.18227 0.35916 0.77777 1.00000
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