Pu2NpBe2Ru5
Alexandria ALEXAlex-ID: agm005134971 · Space group: P4/mbm (#127)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D5_48_spg127
PuRu2 Be3Ru2 NpRu3 Pu2NpRu3
2022-07-14 16:16:43.190314
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005134971).
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 agm005134971
data_agm005134971
_cell_length_a 3.28717
_cell_length_b 9.78214
_cell_length_c 9.78214
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 314.55000
_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 0.00000 0.67242 0.17242 1.00000
Pu2 Pu 0.00000 0.32758 0.82758 1.00000
Pu3 Pu 0.00000 0.17242 0.32758 1.00000
Pu4 Pu 0.00000 0.82758 0.67242 1.00000
Np1 Np 0.00000 0.00000 0.00000 1.00000
Np2 Np 0.00000 0.50000 0.50000 1.00000
Be1 Be 0.00000 0.12160 0.62160 1.00000
Be2 Be 0.00000 0.87840 0.37840 1.00000
Be3 Be 0.00000 0.62160 0.87840 1.00000
Be4 Be 0.00000 0.37840 0.12160 1.00000
Ru1 Ru 0.50000 0.21130 0.07128 1.00000
Ru2 Ru 0.50000 0.78870 0.92872 1.00000
Ru3 Ru 0.50000 0.07128 0.78870 1.00000
Ru4 Ru 0.50000 0.71130 0.42872 1.00000
Ru5 Ru 0.50000 0.92872 0.21130 1.00000
Ru6 Ru 0.50000 0.28870 0.57128 1.00000
Ru7 Ru 0.50000 0.57128 0.71130 1.00000
Ru8 Ru 0.50000 0.42872 0.28870 1.00000
Ru9 Ru 0.50000 0.50000 0.00000 1.00000
Ru10 Ru 0.50000 0.00000 0.50000 1.00000
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