Nd3Zn5Pd2
Alexandria ALEXAlex-ID: agm003344591 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C5_91_spg72
NdZn3 NdZnPd
2022-02-02 15:12:25.584822
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003344591).
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 agm003344591
data_agm003344591
_cell_length_a 6.13978
_cell_length_b 8.87949
_cell_length_c 8.87949
_cell_angle_alpha 83.29633
_cell_angle_beta 69.77377
_cell_angle_gamma 69.77373
_cell_volume 426.22891
_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 0.25000 0.00000 0.00000 1.00000
Nd2 Nd 0.75000 0.00000 0.00000 1.00000
Nd3 Nd 0.37251 0.39670 0.85827 1.00000
Nd4 Nd 0.62749 0.60330 0.14173 1.00000
Nd5 Nd 0.87251 0.85827 0.39670 1.00000
Nd6 Nd 0.12749 0.14173 0.60330 1.00000
Zn1 Zn 0.25000 0.50000 0.50000 1.00000
Zn2 Zn 0.75000 0.50000 0.50000 1.00000
Zn3 Zn 0.51226 0.73774 0.73774 1.00000
Zn4 Zn 0.98774 0.26226 0.26226 1.00000
Zn5 Zn 0.48774 0.26226 0.26226 1.00000
Zn6 Zn 0.01226 0.73774 0.73774 1.00000
Zn7 Zn 0.12026 0.51422 0.24527 1.00000
Zn8 Zn 0.87974 0.48578 0.75473 1.00000
Zn9 Zn 0.62026 0.24527 0.51422 1.00000
Zn10 Zn 0.37974 0.75473 0.48578 1.00000
Pd1 Pd 0.14338 0.70738 0.00586 1.00000
Pd2 Pd 0.85662 0.29262 0.99414 1.00000
Pd3 Pd 0.64338 0.00586 0.70738 1.00000
Pd4 Pd 0.35662 0.99414 0.29262 1.00000
