KPuBe2F8
Alexandria ALEXAlex-ID: agm004885569 · Space group: R32 (#155)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_327_spg155
KBeF3 PuF3 BeF2
2022-08-10 09:12:31.852718
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004885569).
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 agm004885569
data_agm004885569
_cell_length_a 5.08384
_cell_length_b 5.08384
_cell_length_c 8.48306
_cell_angle_alpha 72.56361
_cell_angle_beta 72.56361
_cell_angle_gamma 60.00000
_cell_volume 178.14698
_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
K1 K 0.00000 0.00000 0.00000 1.00000
Pu1 Pu 0.50000 0.50000 0.50000 1.00000
Be1 Be 0.74632 0.74632 0.76105 1.00000
Be2 Be 0.25368 0.25368 0.23895 1.00000
F1 F 0.68432 0.68432 0.94704 1.00000
F2 F 0.31568 0.31568 0.05296 1.00000
F3 F 0.51282 0.23178 0.31857 1.00000
F4 F 0.76822 0.48718 0.68143 1.00000
F5 F 0.06317 0.76822 0.68143 1.00000
F6 F 0.23178 0.93683 0.31857 1.00000
F7 F 0.93683 0.51282 0.31857 1.00000
F8 F 0.48718 0.06317 0.68143 1.00000
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