Nd2MgPd5
Alexandria ALEXAlex-ID: agm003479166 · Space group: I4mm (#107)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_414_spg107
Nd6Mg4Pd13 NdPd3 MgPd
2022-02-21 03:41:28.858574
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003479166).
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 agm003479166
data_agm003479166
_cell_length_a 5.95397
_cell_length_b 5.95397
_cell_length_c 5.95397
_cell_angle_alpha 98.81779
_cell_angle_beta 115.04650
_cell_angle_gamma 115.04650
_cell_volume 158.38355
_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 0.50000 0.25722 0.75722 1.00000
Nd2 Nd 0.50000 0.75722 0.25722 1.00000
Mg1 Mg 0.00000 0.89424 0.89424 1.00000
Pd1 Pd 0.44216 0.73753 0.73753 1.00000
Pd2 Pd 0.00000 0.73753 0.29537 1.00000
Pd3 Pd 0.00000 0.29537 0.73753 1.00000
Pd4 Pd 0.55784 0.29537 0.29537 1.00000
Pd5 Pd 1.00000 0.24758 0.24758 1.00000
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