NdPu2Ru
Alexandria ALEXAlex-ID: agm005736166 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_7452_spg62
Nd2PuRu2 Pu
2023-07-13 19:00:50.528943
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005736166).
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 agm005736166
data_agm005736166
_cell_length_a 6.02838
_cell_length_b 9.40595
_cell_length_c 14.57067
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 826.19467
_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 0.53577 0.25000 0.14371 1.00000
Nd2 Nd 0.03577 0.75000 0.35629 1.00000
Nd3 Nd 0.46423 0.75000 0.85629 1.00000
Nd4 Nd 0.96423 0.25000 0.64371 1.00000
Nd5 Nd 0.75955 0.25000 0.39313 1.00000
Nd6 Nd 0.25955 0.75000 0.10687 1.00000
Nd7 Nd 0.24045 0.75000 0.60687 1.00000
Nd8 Nd 0.74045 0.25000 0.89313 1.00000
Pu1 Pu 0.05117 0.06058 0.21346 1.00000
Pu2 Pu 0.55117 0.93942 0.28654 1.00000
Pu3 Pu 0.94883 0.56058 0.78654 1.00000
Pu4 Pu 0.44883 0.43942 0.71346 1.00000
Pu5 Pu 0.94883 0.93942 0.78654 1.00000
Pu6 Pu 0.44883 0.06058 0.71346 1.00000
Pu7 Pu 0.05117 0.43942 0.21346 1.00000
Pu8 Pu 0.55117 0.56058 0.28654 1.00000
Pu9 Pu 0.75710 0.55876 0.03691 1.00000
Pu10 Pu 0.25710 0.44124 0.46309 1.00000
Pu11 Pu 0.24290 0.05876 0.96309 1.00000
Pu12 Pu 0.74290 0.94124 0.53691 1.00000
Pu13 Pu 0.24290 0.44124 0.96309 1.00000
Pu14 Pu 0.74290 0.55876 0.53691 1.00000
Pu15 Pu 0.75710 0.94124 0.03691 1.00000
Pu16 Pu 0.25710 0.05876 0.46309 1.00000
Ru1 Ru 0.26755 0.25000 0.32370 1.00000
Ru2 Ru 0.76755 0.75000 0.17630 1.00000
Ru3 Ru 0.73245 0.75000 0.67630 1.00000
Ru4 Ru 0.23245 0.25000 0.82370 1.00000
Ru5 Ru 0.02081 0.25000 0.07328 1.00000
Ru6 Ru 0.52081 0.75000 0.42672 1.00000
Ru7 Ru 0.97919 0.75000 0.92672 1.00000
Ru8 Ru 0.47919 0.25000 0.57328 1.00000
