Pr4Dy3Er2
Alexandria ALEXAlex-ID: agm003333656 · Space group: Cccm (#66)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_520_spg66
PrDyEr4 PrDy5 Pr
2022-02-02 04:17:37.135536
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003333656).
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 agm003333656
data_agm003333656
_cell_length_a 7.10498
_cell_length_b 9.87851
_cell_length_c 9.87851
_cell_angle_alpha 59.72091
_cell_angle_beta 89.97094
_cell_angle_gamma 89.97094
_cell_volume 598.75338
_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 0.50018 0.84733 0.17770 1.00000
Pr2 Pr 0.99982 0.82230 0.15267 1.00000
Pr3 Pr 0.49982 0.15267 0.82230 1.00000
Pr4 Pr 0.00018 0.17770 0.84733 1.00000
Pr5 Pr 0.00045 0.15468 0.52241 1.00000
Pr6 Pr 0.49955 0.47759 0.84532 1.00000
Pr7 Pr 0.99955 0.84532 0.47759 1.00000
Pr8 Pr 0.50045 0.52241 0.15468 1.00000
Dy1 Dy 0.74992 0.17195 0.17144 1.00000
Dy2 Dy 0.75008 0.82856 0.82805 1.00000
Dy3 Dy 0.25008 0.82805 0.82856 1.00000
Dy4 Dy 0.24992 0.17144 0.17195 1.00000
Dy5 Dy 0.25000 0.50030 0.49970 1.00000
Dy6 Dy 0.75000 0.49970 0.50030 1.00000
Er1 Er 0.50039 0.17660 0.47830 1.00000
Er2 Er 0.99961 0.52170 0.82340 1.00000
Er3 Er 0.49961 0.82340 0.52170 1.00000
Er4 Er 0.00039 0.47830 0.17660 1.00000
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