Pu2Np(H4Ru)3
Alexandria ALEXAlex-ID: agm006524908 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D12_104_spg166
Pu3(H6Ru)2 PuH5Ru NpH3 Ru
2024-02-26 10:36:00
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006524908).
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 agm006524908
data_agm006524908
_cell_length_a 5.87241
_cell_length_b 6.07762
_cell_length_c 6.33428
_cell_angle_alpha 119.19381
_cell_angle_beta 120.49003
_cell_angle_gamma 89.20280
_cell_volume 161.65881
_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 0.13281 0.38242 0.75446 1.00000
Pu2 Pu 0.86734 0.61801 0.24568 1.00000
Np1 Np 0.99988 0.99982 1.00000 1.00000
H1 H 0.32251 0.65568 0.30995 1.00000
H2 H 0.83217 0.21613 0.27214 1.00000
H3 H 0.83479 0.99567 0.58523 1.00000
H4 H 0.60940 0.71333 0.87670 1.00000
H5 H 0.82379 0.59109 0.57800 1.00000
H6 H 0.55097 0.16591 0.85119 1.00000
H7 H 0.67739 0.34470 0.68997 1.00000
H8 H 0.16776 0.78333 0.72794 1.00000
H9 H 0.16572 0.00494 0.41548 1.00000
H10 H 0.38990 0.28611 0.12259 1.00000
H11 H 0.17569 0.40872 0.42131 1.00000
H12 H 0.44999 0.83413 0.14948 1.00000
Ru1 Ru 0.50024 0.00032 0.50032 1.00000
Ru2 Ru 0.49969 0.49992 0.49957 1.00000
Ru3 Ru 0.49998 0.99978 0.00001 1.00000
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