PrDy3Y
Alexandria ALEXAlex-ID: agm003705348 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_4958_spg63
Dy5Y PrDy5 PrY2
2022-04-18 04:06:11.127218
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003705348).
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 agm003705348
data_agm003705348
_cell_length_a 3.64825
_cell_length_b 8.62050
_cell_length_c 11.63212
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 102.20899
_cell_volume 357.55289
_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
Pr1 Pr 0.30781 0.11548 0.25000 1.00000
Pr2 Pr 0.69219 0.88452 0.75000 1.00000
Dy1 Dy 0.84588 0.19147 0.99803 1.00000
Dy2 Dy 0.15412 0.80853 0.00197 1.00000
Dy3 Dy 0.84588 0.19147 0.50197 1.00000
Dy4 Dy 0.15412 0.80853 0.49803 1.00000
Dy5 Dy 0.64604 0.79221 0.25000 1.00000
Dy6 Dy 0.35396 0.20779 0.75000 1.00000
Y1 Y 0.98183 0.46379 0.25000 1.00000
Y2 Y 0.01817 0.53621 0.75000 1.00000
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