PuNp2O6
Alexandria ALEXAlex-ID: agm097201800 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_891_spg12
PuNp2O6
2025-04-07 04:43:19
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097201800).
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 agm097201800
data_agm097201800
_cell_length_a 3.81480
_cell_length_b 3.81502
_cell_length_c 8.54299
_cell_angle_alpha 102.87973
_cell_angle_beta 102.87823
_cell_angle_gamma 90.00482
_cell_volume 117.99199
_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 0.50110 0.39004 0.75209 1.00000
Np1 Np 0.16500 0.05385 0.08026 1.00000
Np2 Np 0.83428 0.72316 0.41842 1.00000
O1 O 0.08536 0.47424 0.92099 1.00000
O2 O 0.41421 0.80320 0.57787 1.00000
O3 O 0.58534 0.97427 0.92099 1.00000
O4 O 0.75023 0.13906 0.25076 1.00000
O5 O 0.91421 0.30318 0.57786 1.00000
O6 O 0.25028 0.63901 0.25076 1.00000
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