NdPu2Ru9
Alexandria ALEXAlex-ID: agm005936748 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C9_0_spg166
Nd2PuRu3 PuRu2 Ru
2023-07-24 13:54:04.613407
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005936748).
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 agm005936748
data_agm005936748
_cell_length_a 5.24185
_cell_length_b 5.24185
_cell_length_c 9.32579
_cell_angle_alpha 73.67769
_cell_angle_beta 73.67769
_cell_angle_gamma 59.99999
_cell_volume 209.90439
_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
Nd1 Nd 0.00000 0.00000 0.00000 1.00000
Pu1 Pu 0.85908 0.85908 0.42277 1.00000
Pu2 Pu 0.14092 0.14092 0.57723 1.00000
Ru1 Ru 0.66391 0.66391 0.00826 1.00000
Ru2 Ru 0.33609 0.33609 0.99174 1.00000
Ru3 Ru 0.50000 0.50000 0.50000 1.00000
Ru4 Ru 0.41449 0.41449 0.24871 1.00000
Ru5 Ru 0.92231 0.41449 0.24871 1.00000
Ru6 Ru 0.41449 0.92231 0.24871 1.00000
Ru7 Ru 0.58551 0.58551 0.75129 1.00000
Ru8 Ru 0.58551 0.07769 0.75129 1.00000
Ru9 Ru 0.07769 0.58551 0.75129 1.00000
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