Nd5Sm3Dy4
Alexandria ALEXAlex-ID: agm005697184 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C5_119_spg2
NdSm3Dy4 Nd
2023-06-29 12:39:48.753145
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005697184).
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 agm005697184
data_agm005697184
_cell_length_a 7.23721
_cell_length_b 11.45458
_cell_length_c 13.06293
_cell_angle_alpha 151.29368
_cell_angle_beta 56.32214
_cell_angle_gamma 129.24445
_cell_volume 402.82554
_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 0.33547 0.66699 0.83186 1.00000
Nd2 Nd 0.50000 0.00000 0.50000 1.00000
Nd3 Nd 0.74847 0.50098 0.00086 1.00000
Nd4 Nd 0.25153 0.49902 0.99914 1.00000
Nd5 Nd 0.66453 0.33301 0.16814 1.00000
Sm1 Sm 0.58728 0.16891 0.33369 1.00000
Sm2 Sm 0.00000 0.00000 0.50000 1.00000
Sm3 Sm 0.41272 0.83109 0.66631 1.00000
Dy1 Dy 0.91711 0.83210 0.66718 1.00000
Dy2 Dy 0.83627 0.66970 0.83386 1.00000
Dy3 Dy 0.16373 0.33030 0.16614 1.00000
Dy4 Dy 0.08289 0.16790 0.33282 1.00000
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