Pr2Dy5Er2
Alexandria ALEXAlex-ID: agm010013331 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_222_spg12
PrDyEr4 PrDy5 Pr
2024-05-10 12:23:48.137725
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010013331).
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 agm010013331
data_agm010013331
_cell_length_a 7.97820
_cell_length_b 7.97820
_cell_length_c 7.99634
_cell_angle_alpha 72.54429
_cell_angle_beta 72.54429
_cell_angle_gamma 36.95673
_cell_volume 290.29718
_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 0.55600 0.55600 0.16877 1.00000
Pr2 Pr 0.44400 0.44400 0.83123 1.00000
Dy1 Dy 0.88699 0.88699 0.16759 1.00000
Dy2 Dy 0.11301 0.11301 0.83241 1.00000
Dy3 Dy 0.66739 0.66739 0.50148 1.00000
Dy4 Dy 0.33261 0.33261 0.49852 1.00000
Dy5 Dy 0.00000 0.00000 0.50000 1.00000
Er1 Er 0.22308 0.22308 0.16757 1.00000
Er2 Er 0.77692 0.77692 0.83243 1.00000
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