Pr3Nd2Y
Alexandria ALEXAlex-ID: agm018945643 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_91_spg193
PrNd2 Pr3Nd3Y2 Pr
2025-04-15 11:02:32
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm018945643).
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 agm018945643
data_agm018945643
_cell_length_a 9.74765
_cell_length_b 9.74765
_cell_length_c 6.37957
_cell_angle_alpha 89.83447
_cell_angle_beta 90.16553
_cell_angle_gamma 135.68678
_cell_volume 423.45361
_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 0.62515 0.62515 0.25000 1.00000
Pr2 Pr 0.37485 0.37485 0.75000 1.00000
Pr3 Pr 0.04091 0.70884 0.41615 1.00000
Pr4 Pr 0.70884 0.04091 0.08385 1.00000
Pr5 Pr 0.29116 0.95909 0.91615 1.00000
Pr6 Pr 0.95909 0.29116 0.58385 1.00000
Nd1 Nd 0.79142 0.45934 0.91612 1.00000
Nd2 Nd 0.54066 0.20858 0.41612 1.00000
Nd3 Nd 0.45934 0.79142 0.58388 1.00000
Nd4 Nd 0.20858 0.54066 0.08388 1.00000
Y1 Y 0.87631 0.87631 0.75000 1.00000
Y2 Y 0.12369 0.12369 0.25000 1.00000
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