Nd3(CuPd)4
Alexandria ALEXAlex-ID: agm005707153 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_1_spg71
Nd3Pd5 Cu NdPd
2023-06-29 19:43:11.086113
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005707153).
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 agm005707153
data_agm005707153
_cell_length_a 4.19008
_cell_length_b 7.07121
_cell_length_c 8.27497
_cell_angle_alpha 115.29413
_cell_angle_beta 104.66566
_cell_angle_gamma 90.00000
_cell_volume 212.80422
_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 0.14033 0.14033 0.28066 1.00000
Nd2 Nd 0.85967 0.85967 0.71934 1.00000
Nd3 Nd 0.00000 0.50000 0.00000 1.00000
Cu1 Cu 0.21250 0.71250 0.42501 1.00000
Cu2 Cu 0.78750 0.28750 0.57499 1.00000
Cu3 Cu 0.50000 0.82661 0.00000 1.00000
Cu4 Cu 0.50000 0.17339 1.00000 1.00000
Pd1 Pd 0.33347 0.13551 0.66693 1.00000
Pd2 Pd 0.66653 0.46857 0.33307 1.00000
Pd3 Pd 0.66653 0.86449 0.33307 1.00000
Pd4 Pd 0.33347 0.53143 0.66693 1.00000
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