Pu4NpU8
Alexandria ALEXAlex-ID: agm098009745 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1788_spg1
Pu Np U
2025-06-20 02:48:55
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm098009745).
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 agm098009745
data_agm098009745
_cell_length_a 4.68470
_cell_length_b 8.09374
_cell_length_c 7.96819
_cell_angle_alpha 64.47555
_cell_angle_beta 90.21717
_cell_angle_gamma 97.99042
_cell_volume 269.46068
_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 0.89573 0.02583 0.00322 1.00000
Pu2 Pu 0.05865 0.41664 0.05289 1.00000
Pu3 Pu 0.06594 0.41039 0.52877 1.00000
Pu4 Pu 0.93930 0.03714 0.49338 1.00000
Np1 Np 0.43088 0.17001 0.94279 1.00000
U1 U 0.38894 0.05876 0.28953 1.00000
U2 U 0.28129 0.69802 0.13541 1.00000
U3 U 0.30078 0.70932 0.63978 1.00000
U4 U 0.38358 0.08574 0.67672 1.00000
U5 U 0.72339 0.75639 0.32386 1.00000
U6 U 0.61982 0.37594 0.27768 1.00000
U7 U 0.67828 0.49198 0.73262 1.00000
U8 U 0.73343 0.76383 0.90335 1.00000
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