Pr4DyY2
Alexandria ALEXAlex-ID: agm023926475 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_159_spg65
PrDyY Pr PrY2
2025-04-19 11:53:44
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm023926475).
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 agm023926475
data_agm023926475
_cell_length_a 6.29985
_cell_length_b 6.29986
_cell_length_c 8.17655
_cell_angle_alpha 82.64516
_cell_angle_beta 97.35484
_cell_angle_gamma 131.50986
_cell_volume 240.60129
_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 0.28615 0.71385 0.35942 1.00000
Pr2 Pr 0.71385 0.28615 0.64058 1.00000
Pr3 Pr 0.85728 0.14272 0.07458 1.00000
Pr4 Pr 0.14272 0.85728 0.92542 1.00000
Dy1 Dy 0.00000 0.00000 0.50000 1.00000
Y1 Y 0.42931 0.57069 0.78572 1.00000
Y2 Y 0.57069 0.42931 0.21428 1.00000
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