Rb2PuH7
Alexandria ALEXAlex-ID: agm006201836 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_484_spg166
RbH7 PuH3 RbH
2023-12-01 23:16:25
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201836).
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 agm006201836
data_agm006201836
_cell_length_a 6.45329
_cell_length_b 6.45152
_cell_length_c 8.44073
_cell_angle_alpha 112.11453
_cell_angle_beta 67.71123
_cell_angle_gamma 120.03942
_cell_volume 273.74131
_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
H1 H 0.09102 0.72448 0.13028 1.00000
H2 H 0.85549 0.98717 0.86333 1.00000
H3 H 0.34255 0.47399 0.86301 1.00000
H4 H 0.09094 0.23764 0.13108 1.00000
H5 H 0.47356 0.85529 0.49685 1.00000
H6 H 0.60389 0.23755 0.13057 1.00000
H7 H 0.85546 0.47398 0.86256 1.00000
Rb1 Rb 0.35928 0.97129 0.83802 1.00000
Rb2 Rb 0.58701 0.74024 0.15564 1.00000
Pu1 Pu 0.97318 0.35576 0.99683 1.00000
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