Np2CuPd8
Alexandria ALEXAlex-ID: agm005990132 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_280_spg71
NpPd5 NpCu2Pd5 NpPd3
2023-10-13 01:46:56.546021
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005990132).
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 agm005990132
data_agm005990132
_cell_length_a 4.12712
_cell_length_b 7.93407
_cell_length_c 7.44935
_cell_angle_alpha 122.17743
_cell_angle_beta 106.08197
_cell_angle_gamma 90.00000
_cell_volume 195.09107
_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
Np1 Np 0.14987 0.64987 0.29974 1.00000
Np2 Np 0.85013 0.35013 0.70026 1.00000
Pd1 Pd 0.65770 0.91619 0.31540 1.00000
Pd2 Pd 0.34230 0.60079 0.68459 1.00000
Pd3 Pd 0.18315 0.18314 0.36629 1.00000
Pd4 Pd 0.00000 0.22009 0.00000 1.00000
Pd5 Pd 0.81685 0.81686 0.63371 1.00000
Pd6 Pd 0.65770 0.39921 0.31541 1.00000
Pd7 Pd 0.34230 0.08381 0.68460 1.00000
Pd8 Pd 1.00000 0.77991 1.00000 1.00000
Cu1 Cu 0.50000 0.00000 0.00000 1.00000
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