NdPu3Ru2
Alexandria ALEXAlex-ID: agm005605865 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_848_spg71
Nd2PuRu2 PuRu Pu
2023-08-24 20:51:48.600751
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005605865).
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 agm005605865
data_agm005605865
_cell_length_a 3.98605
_cell_length_b 8.89078
_cell_length_c 9.43320
_cell_angle_alpha 59.47949
_cell_angle_beta 77.80281
_cell_angle_gamma 77.04613
_cell_volume 278.75966
_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 0.87616 0.11771 0.12998 1.00000
Nd2 Nd 0.12384 0.88229 0.87002 1.00000
Pu1 Pu 0.32245 0.47708 0.87802 1.00000
Pu2 Pu 0.99566 0.35650 0.65217 1.00000
Pu3 Pu 0.66602 0.14663 0.52133 1.00000
Pu4 Pu 0.33398 0.85337 0.47867 1.00000
Pu5 Pu 0.00434 0.64350 0.34783 1.00000
Pu6 Pu 0.67755 0.52292 0.12198 1.00000
Ru1 Ru 0.49098 0.16604 0.85200 1.00000
Ru2 Ru 0.50902 0.83396 0.14800 1.00000
Ru3 Ru 0.79954 0.70564 0.69528 1.00000
Ru4 Ru 0.20046 0.29436 0.30472 1.00000
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