PrDy2Au3
Alexandria ALEXAlex-ID: agm018978084 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_181_spg2
DyAu PrAu
2025-04-15 08:23:21
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm018978084).
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 agm018978084
data_agm018978084
_cell_length_a 5.87241
_cell_length_b 6.08240
_cell_length_c 8.97100
_cell_angle_alpha 82.98184
_cell_angle_beta 73.90544
_cell_angle_gamma 78.31674
_cell_volume 300.74786
_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 0.71566 0.54956 0.29328 1.00000
Pr2 Pr 0.28434 0.45044 0.70672 1.00000
Dy1 Dy 0.27331 0.79389 0.03467 1.00000
Dy2 Dy 0.72807 0.88136 0.62857 1.00000
Dy3 Dy 0.27193 0.11864 0.37143 1.00000
Dy4 Dy 0.72669 0.20611 0.96533 1.00000
Au1 Au 0.17954 0.96776 0.71974 1.00000
Au2 Au 0.82046 0.03224 0.28026 1.00000
Au3 Au 0.83481 0.35787 0.61513 1.00000
Au4 Au 0.81795 0.69660 0.94054 1.00000
Au5 Au 0.18205 0.30340 0.05946 1.00000
Au6 Au 0.16519 0.64213 0.38487 1.00000
Get direct link