PuNpF7
Alexandria ALEXAlex-ID: agm024153371 · Space group: P2_1 (#4)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC7_3_spg1
Pu2F7 Np4F15 PuF3
2024-12-31 04:18:10
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024153371).
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 agm024153371
data_agm024153371
_cell_length_a 5.99275
_cell_length_b 5.99718
_cell_length_c 8.22362
_cell_angle_alpha 90.00000
_cell_angle_beta 102.01748
_cell_angle_gamma 90.00000
_cell_volume 289.07607
_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
Pu1 Pu 0.35468 0.16741 0.77874 1.00000
Pu2 Pu 0.64532 0.66741 0.22126 1.00000
Np1 Np 0.14572 0.21360 0.21854 1.00000
Np2 Np 0.85428 0.71360 0.78146 1.00000
F1 F 0.08022 0.02640 0.96080 1.00000
F2 F 0.91978 0.52640 0.03920 1.00000
F3 F 0.32657 0.53475 0.30221 1.00000
F4 F 0.67343 0.03475 0.69779 1.00000
F5 F 0.44561 0.98430 0.24885 1.00000
F6 F 0.55439 0.48430 0.75115 1.00000
F7 F 0.95129 0.90358 0.25070 1.00000
F8 F 0.04871 0.40358 0.74930 1.00000
F9 F 0.24925 0.18484 0.49553 1.00000
F10 F 0.75075 0.68484 0.50447 1.00000
F11 F 0.41053 0.35351 0.04085 1.00000
F12 F 0.58947 0.85351 0.95915 1.00000
F13 F 0.83412 0.34176 0.29957 1.00000
F14 F 0.16588 0.84176 0.70043 1.00000
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