RbPuF6
Alexandria ALEXAlex-ID: agm014696445 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_49_spg2
RbPuF6
2025-01-09 20:32:34
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014696445).
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 agm014696445
data_agm014696445
_cell_length_a 6.47612
_cell_length_b 6.47612
_cell_length_c 10.99616
_cell_angle_alpha 77.27782
_cell_angle_beta 102.72218
_cell_angle_gamma 126.39638
_cell_volume 359.74160
_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 0.30025 0.30025 0.75000 1.00000
Rb2 Rb 0.69975 0.69975 0.25000 1.00000
Pu1 Pu 0.50000 0.00000 0.50000 1.00000
Pu2 Pu 0.00000 0.50000 0.00000 1.00000
F1 F 0.81056 0.01241 0.60918 1.00000
F2 F 0.98759 0.18944 0.10918 1.00000
F3 F 0.64646 0.05049 0.33820 1.00000
F4 F 0.94951 0.35354 0.83820 1.00000
F5 F 0.18944 0.98759 0.39082 1.00000
F6 F 0.01241 0.81056 0.89082 1.00000
F7 F 0.31250 0.60430 0.50971 1.00000
F8 F 0.39570 0.68750 0.00971 1.00000
F9 F 0.35354 0.94951 0.66180 1.00000
F10 F 0.05049 0.64646 0.16180 1.00000
F11 F 0.68750 0.39570 0.49029 1.00000
F12 F 0.60430 0.31250 0.99029 1.00000
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