PuNpOs
Alexandria ALEXAlex-ID: agm005682117 · Space group: Cc (#9)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_7543_spg11
Pu Np PuOs2
2023-06-18 05:45:10.838391
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005682117).
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 agm005682117
data_agm005682117
_cell_length_a 3.30495
_cell_length_b 3.30496
_cell_length_c 10.14123
_cell_angle_alpha 93.78990
_cell_angle_beta 93.78992
_cell_angle_gamma 90.74239
_cell_volume 110.26913
_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 0.14529 0.79141 0.32734 1.00000
Pu2 Pu 0.54140 0.39528 0.82734 1.00000
Np1 Np 0.60980 0.46071 0.18009 1.00000
Np2 Np 0.21071 0.85980 0.68009 1.00000
Os1 Os 0.68745 0.32019 0.50740 1.00000
Os2 Os 0.07019 0.93745 0.00740 1.00000
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