Nd2MgPd3
Alexandria ALEXAlex-ID: agm034848941 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_36_spg70
MgPd NdPd
2025-04-14 04:13:26
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034848941).
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 agm034848941
data_agm034848941
_cell_length_a 5.55097
_cell_length_b 7.22757
_cell_length_c 14.24373
_cell_angle_alpha 75.16992
_cell_angle_beta 86.17659
_cell_angle_gamma 74.33894
_cell_volume 531.91269
_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 0.20061 0.91533 0.76786 1.00000
Nd2 Nd 0.76836 0.27252 0.92383 1.00000
Nd3 Nd 0.23164 0.72748 0.07617 1.00000
Nd4 Nd 0.79939 0.08467 0.23214 1.00000
Nd5 Nd 0.75686 0.55761 0.26906 1.00000
Nd6 Nd 0.22263 0.61910 0.42494 1.00000
Nd7 Nd 0.77737 0.38090 0.57506 1.00000
Nd8 Nd 0.24314 0.44239 0.73094 1.00000
Mg1 Mg 0.72280 0.76907 0.91223 1.00000
Mg2 Mg 0.27720 0.23093 0.08777 1.00000
Mg3 Mg 0.18683 0.10824 0.41700 1.00000
Mg4 Mg 0.81317 0.89176 0.58300 1.00000
Pd1 Pd 0.33158 0.09914 0.91721 1.00000
Pd2 Pd 0.18804 0.52265 0.91990 1.00000
Pd3 Pd 0.66842 0.90086 0.08279 1.00000
Pd4 Pd 0.81196 0.47735 0.08010 1.00000
Pd5 Pd 0.34024 0.93094 0.25288 1.00000
Pd6 Pd 0.29780 0.37477 0.25137 1.00000
Pd7 Pd 0.64534 0.21376 0.41685 1.00000
Pd8 Pd 0.67530 0.79535 0.41944 1.00000
Pd9 Pd 0.35466 0.78624 0.58315 1.00000
Pd10 Pd 0.32470 0.20465 0.58056 1.00000
Pd11 Pd 0.65976 0.06906 0.74712 1.00000
Pd12 Pd 0.70220 0.62523 0.74863 1.00000
