PrY2Cu
Alexandria ALEXAlex-ID: agm005759166 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_6950_spg62
PrY2 YCu Pr
2023-07-12 00:32:55.936469
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005759166).
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 agm005759166
data_agm005759166
_cell_length_a 6.56157
_cell_length_b 6.90798
_cell_length_c 10.02500
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 454.40521
_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 0.63818 0.50883 0.25000 1.00000
Pr2 Pr 0.86182 0.00883 0.25000 1.00000
Pr3 Pr 0.36182 0.49117 0.75000 1.00000
Pr4 Pr 0.13818 0.99117 0.75000 1.00000
Y1 Y 0.17864 0.68120 0.05830 1.00000
Y2 Y 0.32136 0.18120 0.44170 1.00000
Y3 Y 0.82136 0.31880 0.55830 1.00000
Y4 Y 0.67864 0.81880 0.94170 1.00000
Y5 Y 0.82136 0.31880 0.94170 1.00000
Y6 Y 0.67864 0.81880 0.55830 1.00000
Y7 Y 0.17864 0.68120 0.44170 1.00000
Y8 Y 0.32136 0.18120 0.05830 1.00000
Cu1 Cu 0.07282 0.39275 0.25000 1.00000
Cu2 Cu 0.42718 0.89275 0.25000 1.00000
Cu3 Cu 0.92718 0.60725 0.75000 1.00000
Cu4 Cu 0.57282 0.10725 0.75000 1.00000
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