Nd4MgNi2
Alexandria ALEXAlex-ID: agm096502871 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_3643_spg10
Nd23Mg4Ni7 Nd2MgNi2 NdNi
2025-04-10 23:04:02
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096502871).
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 agm096502871
data_agm096502871
_cell_length_a 4.00424
_cell_length_b 5.12943
_cell_length_c 9.73454
_cell_angle_alpha 74.61284
_cell_angle_beta 95.48477
_cell_angle_gamma 89.96284
_cell_volume 191.82261
_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 0.57391 0.94256 0.18880 1.00000
Nd2 Nd 0.93052 0.70754 0.65401 1.00000
Nd3 Nd 0.06562 0.33313 0.40471 1.00000
Nd4 Nd 0.47717 0.13754 0.79349 1.00000
Mg1 Mg 0.05376 0.52941 0.01567 1.00000
Ni1 Ni 0.02395 0.04496 0.98495 1.00000
Ni2 Ni 0.37507 0.80487 0.45837 1.00000
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