PrDy3(YSe3)2
Alexandria ALEXAlex-ID: agm034246346 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_376_spg12
DyY4Se5 Dy4YSe5 Pr2Dy3Se5
2025-02-26 03:05:35
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034246346).
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 agm034246346
data_agm034246346
_cell_length_a 9.18403
_cell_length_b 9.18403
_cell_length_c 8.25694
_cell_angle_alpha 77.11365
_cell_angle_beta 102.88635
_cell_angle_gamma 154.19828
_cell_volume 295.09218
_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 0.50000 0.50000 0.50000 1.00000
Dy1 Dy 0.50000 0.50000 0.00000 1.00000
Dy2 Dy 0.83786 0.16214 0.66675 1.00000
Dy3 Dy 0.16214 0.83786 0.33325 1.00000
Y1 Y 0.83573 0.16427 0.16964 1.00000
Y2 Y 0.16427 0.83573 0.83036 1.00000
Se1 Se 0.32725 0.67275 0.41402 1.00000
Se2 Se 0.66765 0.33235 0.08459 1.00000
Se3 Se 0.67275 0.32725 0.58598 1.00000
Se4 Se 0.00095 0.99905 0.76192 1.00000
Se5 Se 0.99905 0.00095 0.23808 1.00000
Se6 Se 0.33235 0.66765 0.91541 1.00000
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