NdDy6Y5
Alexandria ALEXAlex-ID: agm079063247 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_513_spg2
Nd2DyY6 Dy5Y DyY5
2025-01-10 09:39:38
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm079063247).
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 agm079063247
data_agm079063247
_cell_length_a 6.22739
_cell_length_b 7.19521
_cell_length_c 9.56117
_cell_angle_alpha 112.10107
_cell_angle_beta 102.57754
_cell_angle_gamma 89.98381
_cell_volume 385.82441
_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
Dy1 Dy 0.27905 0.41786 0.33548 1.00000
Dy2 Dy 0.72095 0.58214 0.66452 1.00000
Dy3 Dy 0.22332 0.83239 0.66619 1.00000
Dy4 Dy 0.77668 0.16761 0.33381 1.00000
Dy5 Dy 0.49908 0.24980 0.00030 1.00000
Dy6 Dy 0.50092 0.75020 0.99970 1.00000
Y1 Y 0.22125 0.33368 0.66563 1.00000
Y2 Y 0.77875 0.66632 0.33437 1.00000
Y3 Y 0.27813 0.91729 0.33519 1.00000
Y4 Y 0.72187 0.08271 0.66481 1.00000
Y5 Y 0.00000 0.50000 0.00000 1.00000
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