PrNd8Dy5
Alexandria ALEXAlex-ID: agm006111981 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C8_130_spg5
Nd3Dy5 PrNd3Dy4 Nd
2023-08-11 08:03:17.080390
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006111981).
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 agm006111981
data_agm006111981
_cell_length_a 8.72138
_cell_length_b 8.69234
_cell_length_c 8.68057
_cell_angle_alpha 113.20798
_cell_angle_beta 98.55125
_cell_angle_gamma 117.74875
_cell_volume 488.59259
_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 0.16098 0.51471 0.53545 1.00000
Nd1 Nd 0.21474 0.72955 0.10791 1.00000
Nd2 Nd 0.10108 0.23666 0.74701 1.00000
Nd3 Nd 0.67754 0.24876 0.32431 1.00000
Nd4 Nd 0.69412 0.45581 0.93775 1.00000
Nd5 Nd 0.47751 0.53606 0.23744 1.00000
Nd6 Nd 0.52817 0.78798 0.90623 1.00000
Nd7 Nd 0.35679 0.24579 0.47057 1.00000
Nd8 Nd 0.05049 0.77767 0.43367 1.00000
Dy1 Dy 0.95041 0.24741 0.06863 1.00000
Dy2 Dy 0.86670 0.96965 0.27845 1.00000
Dy3 Dy 0.80255 0.74056 0.69839 1.00000
Dy4 Dy 0.57579 0.98660 0.59559 1.00000
Dy5 Dy 0.29313 0.02279 0.90859 1.00000
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