Pu2Zr2Np5
Alexandria ALEXAlex-ID: agm009970902 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_551_spg12
Pu Zr Np
2024-03-09 06:02:17.447789
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009970902).
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 agm009970902
data_agm009970902
_cell_length_a 4.51193
_cell_length_b 5.86769
_cell_length_c 8.09897
_cell_angle_alpha 75.21314
_cell_angle_beta 68.18518
_cell_angle_gamma 68.71027
_cell_volume 183.67589
_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 0.73747 0.69630 0.00722 1.00000
Pu2 Pu 0.26253 0.30370 0.99278 1.00000
Zr1 Zr 0.06269 0.63570 0.31524 1.00000
Zr2 Zr 0.93731 0.36430 0.68476 1.00000
Np1 Np 0.64278 0.91769 0.71604 1.00000
Np2 Np 0.35722 0.08231 0.28396 1.00000
Np3 Np 0.70995 0.18973 0.42224 1.00000
Np4 Np 0.29005 0.81027 0.57776 1.00000
Np5 Np 0.00000 0.00000 0.00000 1.00000
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