Pu2Np3PaP6
Alexandria ALEXAlex-ID: agm035331069 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_521_spg12
Pu3PaP4 PuPaP2 NpP
2025-02-28 16:13:55
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm035331069).
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 agm035331069
data_agm035331069
_cell_length_a 8.88224
_cell_length_b 8.88224
_cell_length_c 7.96387
_cell_angle_alpha 76.90866
_cell_angle_beta 103.09134
_cell_angle_gamma 154.19866
_cell_volume 265.98452
_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 0.83367 0.16633 0.16615 1.00000
Pu2 Pu 0.16633 0.83367 0.83385 1.00000
Np1 Np 0.50000 0.50000 0.50000 1.00000
Np2 Np 0.83286 0.16714 0.66514 1.00000
Np3 Np 0.16714 0.83286 0.33486 1.00000
Pa1 Pa 0.50000 0.50000 0.00000 1.00000
P1 P 0.33341 0.66659 0.91388 1.00000
P2 P 0.66672 0.33328 0.58265 1.00000
P3 P 0.66659 0.33341 0.08612 1.00000
P4 P 0.99889 0.00111 0.74995 1.00000
P5 P 0.00111 0.99889 0.25005 1.00000
P6 P 0.33328 0.66672 0.41735 1.00000
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