Nd3Dy5Y4
Alexandria ALEXAlex-ID: agm005694097 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C5_119_spg2
NdDy4Y Nd3(DyY2)2 NdY2
2023-06-29 13:47:06.942328
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005694097).
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 agm005694097
data_agm005694097
_cell_length_a 7.17104
_cell_length_b 11.34053
_cell_length_c 12.92471
_cell_angle_alpha 151.28366
_cell_angle_beta 56.38145
_cell_angle_gamma 129.24527
_cell_volume 391.10618
_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 0.58234 0.16562 0.33262 1.00000
Nd2 Nd 0.00000 0.00000 0.50000 1.00000
Nd3 Nd 0.41766 0.83438 0.66738 1.00000
Dy1 Dy 0.33289 0.66779 0.83505 1.00000
Dy2 Dy 0.50000 0.00000 0.50000 1.00000
Dy3 Dy 0.74901 0.49960 0.00001 1.00000
Dy4 Dy 0.25099 0.50040 0.99999 1.00000
Dy5 Dy 0.66711 0.33221 0.16495 1.00000
Y1 Y 0.91728 0.83507 0.66806 1.00000
Y2 Y 0.83171 0.66481 0.83284 1.00000
Y3 Y 0.16829 0.33519 0.16716 1.00000
Y4 Y 0.08272 0.16493 0.33194 1.00000
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