Pr2NdDy4Ho
Alexandria ALEXAlex-ID: agm004866434 · Space group: P4/mmm (#123)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_443_spg123
Pr3NdDy4 PrDyHo4 NdDy4Ho PrNd3Dy4
2023-01-28 08:36:22.541807
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004866434).
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 agm004866434
data_agm004866434
_cell_length_a 5.12081
_cell_length_b 5.09585
_cell_length_c 11.32282
_cell_angle_alpha 63.23335
_cell_angle_beta 89.99957
_cell_angle_gamma 89.99965
_cell_volume 263.80802
_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 0.00000 0.00000 1.00000 1.00000
Pr2 Pr 0.50000 0.00000 0.50000 1.00000
Nd1 Nd 0.50000 0.50000 1.00000 1.00000
Dy1 Dy 0.00000 0.75242 0.74757 1.00000
Dy2 Dy 1.00000 0.24758 0.25243 1.00000
Dy3 Dy 0.50000 0.74807 0.25214 1.00000
Dy4 Dy 0.50000 0.25193 0.74786 1.00000
Ho1 Ho 0.00000 0.49999 0.50000 1.00000
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