NaPu4F10
Alexandria ALEXAlex-ID: agm005995900 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C10_8_spg166
NaPu2F6 Pu3F8 Pu
2023-08-08 04:33:02.049608
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005995900).
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 agm005995900
data_agm005995900
_cell_length_a 4.14087
_cell_length_b 4.14087
_cell_length_c 16.94007
_cell_angle_alpha 82.97970
_cell_angle_beta 82.97970
_cell_angle_gamma 60.00001
_cell_volume 249.03475
_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
Na1 Na 0.00000 0.00000 0.00000 1.00000
Pu1 Pu 0.39651 0.39651 0.81047 1.00000
Pu2 Pu 0.79942 0.79942 0.60175 1.00000
Pu3 Pu 0.20058 0.20058 0.39825 1.00000
Pu4 Pu 0.60349 0.60349 0.18953 1.00000
F1 F 0.94711 0.94711 0.15866 1.00000
F2 F 0.14947 0.14947 0.55160 1.00000
F3 F 0.55053 0.55053 0.34840 1.00000
F4 F 0.35210 0.35210 0.94370 1.00000
F5 F 0.74980 0.74980 0.75060 1.00000
F6 F 0.64790 0.64790 0.05630 1.00000
F7 F 0.85053 0.85053 0.44840 1.00000
F8 F 0.25020 0.25020 0.24940 1.00000
F9 F 0.05289 0.05289 0.84134 1.00000
F10 F 0.44947 0.44947 0.65160 1.00000
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