Pr2Nd2SmDy2
Alexandria ALEXAlex-ID: agm024157252 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2_13_spg12
PrNd2 PrNd3Dy4 PrSm4 Pr
2025-04-18 22:39:03
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024157252).
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 agm024157252
data_agm024157252
_cell_length_a 6.29769
_cell_length_b 6.29769
_cell_length_c 8.15171
_cell_angle_alpha 82.62007
_cell_angle_beta 97.37993
_cell_angle_gamma 131.64759
_cell_volume 239.18130
_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 0.85757 0.14243 0.07311 1.00000
Pr2 Pr 0.14243 0.85757 0.92689 1.00000
Nd1 Nd 0.28546 0.71454 0.35876 1.00000
Nd2 Nd 0.71454 0.28546 0.64124 1.00000
Sm1 Sm 0.00000 0.00000 0.50000 1.00000
Dy1 Dy 0.42902 0.57098 0.78631 1.00000
Dy2 Dy 0.57098 0.42902 0.21369 1.00000
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