Nd3Al3CuPd2
Alexandria ALEXAlex-ID: agm034772366 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D3_12_spg6
NdAlCu NdAlPd
2025-03-18 15:11:06
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034772366).
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 agm034772366
data_agm034772366
_cell_length_a 7.31070
_cell_length_b 4.51437
_cell_length_c 23.13537
_cell_angle_alpha 90.00000
_cell_angle_beta 89.14920
_cell_angle_gamma 90.00000
_cell_volume 763.45753
_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 0.51374 0.00000 0.93659 1.00000
Nd2 Nd 0.53780 0.00000 0.60791 1.00000
Nd3 Nd 0.52736 0.00000 0.27285 1.00000
Nd4 Nd 0.01633 0.00000 0.89396 1.00000
Nd5 Nd 0.03980 0.00000 0.56204 1.00000
Nd6 Nd 0.02896 0.00000 0.22668 1.00000
Nd7 Nd 0.48280 0.50000 0.72776 1.00000
Nd8 Nd 0.47309 0.50000 0.39288 1.00000
Nd9 Nd 0.46310 0.50000 0.05832 1.00000
Nd10 Nd 0.98080 0.50000 0.77290 1.00000
Nd11 Nd 0.97520 0.50000 0.43979 1.00000
Nd12 Nd 0.96361 0.50000 0.10464 1.00000
Al1 Al 0.65748 0.00000 0.80619 1.00000
Al2 Al 0.65782 0.00000 0.47649 1.00000
Al3 Al 0.64834 0.00000 0.14192 1.00000
Al4 Al 0.16450 0.00000 0.69335 1.00000
Al5 Al 0.15098 0.00000 0.35801 1.00000
Al6 Al 0.14096 0.00000 0.02435 1.00000
Al7 Al 0.33565 0.50000 0.85578 1.00000
Al8 Al 0.35548 0.50000 0.52425 1.00000
Al9 Al 0.34625 0.50000 0.18962 1.00000
Al10 Al 0.82962 0.50000 0.97604 1.00000
Al11 Al 0.85225 0.50000 0.64443 1.00000
Al12 Al 0.84430 0.50000 0.31101 1.00000
Cu1 Cu 0.80976 0.00000 0.70198 1.00000
Cu2 Cu 0.79370 0.00000 0.36949 1.00000
Cu3 Cu 0.78132 0.00000 0.03417 1.00000
Cu4 Cu 0.30075 0.00000 0.79937 1.00000
Pd1 Pd 0.29882 0.00000 0.46464 1.00000
Pd2 Pd 0.28979 0.00000 0.13040 1.00000
Pd3 Pd 0.19340 0.50000 0.96456 1.00000
Pd4 Pd 0.21597 0.50000 0.63302 1.00000
Pd5 Pd 0.20545 0.50000 0.29824 1.00000
Pd6 Pd 0.70071 0.50000 0.86672 1.00000
Pd7 Pd 0.71599 0.50000 0.53676 1.00000
Pd8 Pd 0.70812 0.50000 0.20290 1.00000
