Nd3Mg2Pd7
Alexandria ALEXAlex-ID: agm026100007 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_153_spg166
Nd6Mg4Pd13 NdPd3 MgPd
2025-05-17 00:09:30
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm026100007).
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
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# CIF generated by HEAS from Alexandria entry agm026100007
data_agm026100007
_cell_length_a 9.22073
_cell_length_b 9.22073
_cell_length_c 9.22073
_cell_angle_alpha 35.52084
_cell_angle_beta 35.52084
_cell_angle_gamma 35.52084
_cell_volume 236.49887
_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 0.00000 0.00000 0.00000 1.00000
Nd2 Nd 0.13900 0.13900 0.13900 1.00000
Nd3 Nd 0.86100 0.86100 0.86100 1.00000
Mg1 Mg 0.33383 0.33383 0.33383 1.00000
Mg2 Mg 0.66617 0.66617 0.66617 1.00000
Pd1 Pd 0.50000 0.50000 0.50000 1.00000
Pd2 Pd 0.07942 0.58357 0.58357 1.00000
Pd3 Pd 0.58357 0.58357 0.07942 1.00000
Pd4 Pd 0.58357 0.07942 0.58357 1.00000
Pd5 Pd 0.92058 0.41643 0.41643 1.00000
Pd6 Pd 0.41643 0.92058 0.41643 1.00000
Pd7 Pd 0.41643 0.41643 0.92058 1.00000
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