Pr3Dy4Y5
Alexandria ALEXAlex-ID: agm005694670 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C5_129_spg2
Dy5Y PrDy5 PrY2
2023-06-29 14:25:26.957829
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005694670).
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 agm005694670
data_agm005694670
_cell_length_a 7.19218
_cell_length_b 15.64787
_cell_length_c 17.93925
_cell_angle_alpha 160.12418
_cell_angle_beta 45.69087
_cell_angle_gamma 143.30689
_cell_volume 394.50992
_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 0.58572 0.16903 0.33405 1.00000
Pr2 Pr 0.00000 0.00000 0.50000 1.00000
Pr3 Pr 0.41428 0.83097 0.66595 1.00000
Dy1 Dy 0.91796 0.83385 0.66622 1.00000
Dy2 Dy 0.83503 0.66698 0.83374 1.00000
Dy3 Dy 0.16497 0.33302 0.16626 1.00000
Dy4 Dy 0.08204 0.16615 0.33378 1.00000
Y1 Y 0.33343 0.66784 0.83319 1.00000
Y2 Y 0.50000 0.00000 0.50000 1.00000
Y3 Y 0.74702 0.50073 0.00082 1.00000
Y4 Y 0.25298 0.49927 0.99918 1.00000
Y5 Y 0.66657 0.33216 0.16681 1.00000
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