AcPrDy5
Alexandria ALEXAlex-ID: agm005758172 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_332_spg15
PrDy5 Ac
2023-07-14 23:22:24.387065
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005758172).
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 agm005758172
data_agm005758172
_cell_length_a 6.68226
_cell_length_b 6.68226
_cell_length_c 11.95418
_cell_angle_alpha 106.17449
_cell_angle_beta 106.17449
_cell_angle_gamma 95.60107
_cell_volume 483.40126
_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
Ac1 Ac 0.00000 0.00000 0.00000 1.00000
Ac2 Ac 0.00000 0.00000 0.50000 1.00000
Pr1 Pr 0.48410 0.51590 0.75000 1.00000
Pr2 Pr 0.51590 0.48410 0.25000 1.00000
Dy1 Dy 0.38486 0.03609 0.83356 1.00000
Dy2 Dy 0.47066 0.76393 0.53520 1.00000
Dy3 Dy 0.03609 0.38486 0.33356 1.00000
Dy4 Dy 0.82530 0.17470 0.75000 1.00000
Dy5 Dy 0.23607 0.52934 0.96480 1.00000
Dy6 Dy 0.76393 0.47066 0.03520 1.00000
Dy7 Dy 0.17470 0.82530 0.25000 1.00000
Dy8 Dy 0.96391 0.61514 0.66644 1.00000
Dy9 Dy 0.52934 0.23607 0.46480 1.00000
Dy10 Dy 0.61514 0.96391 0.16644 1.00000
Get direct link