Pr3Sm4Dy5
Alexandria ALEXAlex-ID: agm005698312 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C5_119_spg2
SmDy5 Pr3SmDy4 PrSm4
2023-06-29 13:06:38.697357
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005698312).
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 agm005698312
data_agm005698312
_cell_length_a 7.22435
_cell_length_b 11.42728
_cell_length_c 13.02764
_cell_angle_alpha 151.30087
_cell_angle_beta 56.41577
_cell_angle_gamma 129.20128
_cell_volume 400.21997
_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 0.58302 0.16538 0.33239 1.00000
Pr2 Pr 0.00000 0.00000 0.50000 1.00000
Pr3 Pr 0.41698 0.83462 0.66761 1.00000
Sm1 Sm 0.91751 0.83604 0.66864 1.00000
Sm2 Sm 0.83108 0.66342 0.83253 1.00000
Sm3 Sm 0.16892 0.33658 0.16747 1.00000
Sm4 Sm 0.08249 0.16396 0.33136 1.00000
Dy1 Dy 0.33104 0.66661 0.83512 1.00000
Dy2 Dy 0.50000 0.00000 0.50000 1.00000
Dy3 Dy 0.75009 0.50132 0.00096 1.00000
Dy4 Dy 0.24991 0.49868 0.99904 1.00000
Dy5 Dy 0.66896 0.33339 0.16488 1.00000
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